CAS RN: 96977-41-2
CAS Name: 4-amino-N-(2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl)benzamide
OPENEYE Name: 4-amino-N-(2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl)benzamide
IUPAC Name: 4-amino-N-(2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl)benzamide
SYSTEMATIC NAME: 4-azanyl-N-(2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl)benzamide
MOLECULAR FORMULA: C17H24N2O2
MOLECULAR WEIGHT: 288.38466
SMILES: CC1(C2CCC(O1)(C(C2)NC(=O)C3=CC=C(C=C3)N)C)C
Structure:
CAS RN: 244775-76-6
CAS Name: acetic acid [[oxo-(2-propoxyphenyl)methyl]amino] ester
OPENEYE Name: [(2-propoxybenzoyl)amino] acetate
IUPAC Name: [(2-propoxybenzoyl)amino] acetate
SYSTEMATIC NAME: [(2-propoxyphenyl)carbonylamino] ethanoate
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CCCOC1=CC=CC=C1C(=O)NOC(=O)C
Structure:
CAS RN: 131229-64-6
CAS Name: acetic acid [[(2-butoxy-4-nitrophenyl)-oxomethyl]amino] ester
OPENEYE Name: [(2-butoxy-4-nitro-benzoyl)amino] acetate
IUPAC Name: [(2-butoxy-4-nitrobenzoyl)amino] acetate
SYSTEMATIC NAME: [(2-butoxy-4-nitro-phenyl)carbonylamino] ethanoate
MOLECULAR FORMULA: C13H16N2O6
MOLECULAR WEIGHT: 296.27594
SMILES: CCCCOC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NOC(=O)C
Structure:
CAS RN: 357204-47-8
CAS Name: acetic acid [[(2-butoxy-3-nitrophenyl)-oxomethyl]amino] ester
OPENEYE Name: [(2-butoxy-3-nitro-benzoyl)amino] acetate
IUPAC Name: [(2-butoxy-3-nitrobenzoyl)amino] acetate
SYSTEMATIC NAME: [(2-butoxy-3-nitro-phenyl)carbonylamino] ethanoate
MOLECULAR FORMULA: C13H16N2O6
MOLECULAR WEIGHT: 296.27594
SMILES: CCCCOC1=C(C=CC=C1[N+](=O)[O-])C(=O)NOC(=O)C
Structure:
CAS RN: 131229-61-3
CAS Name: acetic acid [[(2-butoxy-4-methylphenyl)-oxomethyl]amino] ester
OPENEYE Name: [(2-butoxy-4-methyl-benzoyl)amino] acetate
IUPAC Name: [(2-butoxy-4-methylbenzoyl)amino] acetate
SYSTEMATIC NAME: [(2-butoxy-4-methyl-phenyl)carbonylamino] ethanoate
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CCCCOC1=C(C=CC(=C1)C)C(=O)NOC(=O)C
Structure:
CAS RN: 131229-60-2
CAS Name: acetic acid [[(2-butoxy-4-methoxyphenyl)-oxomethyl]amino] ester
OPENEYE Name: [(2-butoxy-4-methoxy-benzoyl)amino] acetate
IUPAC Name: [(2-butoxy-4-methoxybenzoyl)amino] acetate
SYSTEMATIC NAME: [(2-butoxy-4-methoxy-phenyl)carbonylamino] ethanoate
MOLECULAR FORMULA: C14H19NO5
MOLECULAR WEIGHT: 281.30436
SMILES: CCCCOC1=C(C=CC(=C1)OC)C(=O)NOC(=O)C
Structure:
CAS RN: 131229-62-4
CAS Name: acetic acid [[(2-butoxy-4-chlorophenyl)-oxomethyl]amino] ester
OPENEYE Name: [(2-butoxy-4-chloro-benzoyl)amino] acetate
IUPAC Name: [(2-butoxy-4-chlorobenzoyl)amino] acetate
SYSTEMATIC NAME: [(2-butoxy-4-chloranyl-phenyl)carbonylamino] ethanoate
MOLECULAR FORMULA: C13H16ClNO4
MOLECULAR WEIGHT: 285.72344
SMILES: CCCCOC1=C(C=CC(=C1)Cl)C(=O)NOC(=O)C
Structure:
CAS RN: 131229-63-5
CAS Name: acetic acid [[(4-bromo-2-butoxyphenyl)-oxomethyl]amino] ester
OPENEYE Name: [(4-bromo-2-butoxy-benzoyl)amino] acetate
IUPAC Name: [(4-bromo-2-butoxybenzoyl)amino] acetate
SYSTEMATIC NAME: [(4-bromanyl-2-butoxy-phenyl)carbonylamino] ethanoate
MOLECULAR FORMULA: C13H16BrNO4
MOLECULAR WEIGHT: 330.17444
SMILES: CCCCOC1=C(C=CC(=C1)Br)C(=O)NOC(=O)C
Structure:
CAS RN: 102429-88-9
CAS Name: 5,6-bis(4-methoxyphenyl)-N-[(E)-(phenylmethylene)amino]-1,2,4-triazin-3-amine
OPENEYE Name: N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine
IUPAC Name: N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine
SYSTEMATIC NAME: 5,6-bis(4-methoxyphenyl)-N-[(E)-(phenylmethylidene)amino]-1,2,4-triazin-3-amine
MOLECULAR FORMULA: C24H21N5O2
MOLECULAR WEIGHT: 411.45584
SMILES: COC1=CC=C(C=C1)C2=C(N=NC(=N2)N/N=C/C3=CC=CC=C3)C4=CC=C(C=C4)OC
Structure:
CAS RN: 51787-44-1
CAS Name: 7,8,9,11-tetramethylbenzo[c]acridine
OPENEYE Name: 7,8,9,11-tetramethylbenzo[c]acridine
IUPAC Name: 7,8,9,11-tetramethylbenzo[c]acridine
SYSTEMATIC NAME: 7,8,9,11-tetramethylbenzo[c]acridine
MOLECULAR FORMULA: C21H19N
MOLECULAR WEIGHT: 285.38226
SMILES: CC1=CC(=C2C(=C1C)C(=C3C=CC4=CC=CC=C4C3=N2)C)C
Structure:
CAS RN: 93614-57-4
CAS Name: N-(4-ethoxyphenyl)-2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)acetamide chloride
OPENEYE Name: N-(4-ethoxyphenyl)-2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)acetamide chloride
IUPAC Name: N-(4-ethoxyphenyl)-2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)acetamide chloride
SYSTEMATIC NAME: N-(4-ethoxyphenyl)-2-(8-methyl-3-oxidanyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanamide chloride
MOLECULAR FORMULA: C18H27ClN2O3
MOLECULAR WEIGHT: 354.87158
SMILES: CCOC1=CC=C(C=C1)NC(=O)C[N+]2(C3CCC2CC(C3)O)C.[Cl-]
Structure:
CAS RN: 93614-58-5
CAS Name: 4-[[2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)-1-oxoethyl]amino]benzoic acid ethyl ester chloride
OPENEYE Name: ethyl 4-[[2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)acetyl]amino]benzoate chloride
IUPAC Name: ethyl 4-[[2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)acetyl]amino]benzoate chloride
SYSTEMATIC NAME: ethyl 4-[2-(8-methyl-3-oxidanyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanoylamino]benzoate chloride
MOLECULAR FORMULA: C19H27ClN2O4
MOLECULAR WEIGHT: 382.88168
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2(C3CCC2CC(C3)O)C.[Cl-]
Structure:
CAS RN: 93614-59-6
CAS Name: 2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)-N-(4-sulfamoylphenyl)acetamide chloride
OPENEYE Name: 2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)-N-(4-sulfamoylphenyl)acetamide chloride
IUPAC Name: 2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)-N-(4-sulfamoylphenyl)acetamide chloride
SYSTEMATIC NAME: 2-(8-methyl-3-oxidanyl-8-azoniabicyclo[3.2.1]octan-8-yl)-N-(4-sulfamoylphenyl)ethanamide chloride
MOLECULAR FORMULA: C16H24ClN3O4S
MOLECULAR WEIGHT: 389.89746
SMILES: C[N+]1(C2CCC1CC(C2)O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N.[Cl-]
Structure:
CAS RN: 96437-82-0
CAS Name: 11-[3-(1-methyl-1-azepan-1-iumyl)-1-oxopropyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one iodide
OPENEYE Name: 11-[3-(1-methylazepan-1-ium-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one iodide
IUPAC Name: 11-[3-(1-methylazepan-1-ium-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one iodide
SYSTEMATIC NAME: 11-[3-(1-methylazepan-1-ium-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one iodide
MOLECULAR FORMULA: C22H27IN4O2
MOLECULAR WEIGHT: 506.37985
SMILES: C[N+]1(CCCCCC1)CCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.[I-]
Structure:
CAS RN: 103840-67-1
CAS Name: oxalic acid; 1-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]azepane
OPENEYE Name: oxalic acid; 1-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]azepane
IUPAC Name: oxalic acid; 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]azepane
SYSTEMATIC NAME: ethanedioic acid; 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]azepane
MOLECULAR FORMULA: C20H32N4O4
MOLECULAR WEIGHT: 392.49248
SMILES: C1CCCN(CC1)CCCN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O
Structure:
CAS RN: 103840-61-5
CAS Name: oxalic acid; 1-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]azepane
OPENEYE Name: oxalic acid; 1-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]azepane
IUPAC Name: oxalic acid; 1-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]azepane
SYSTEMATIC NAME: ethanedioic acid; 1-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]azepane
MOLECULAR FORMULA: C23H34N4O12
MOLECULAR WEIGHT: 558.53566
SMILES: C1CCCN(CC1)CCN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 103366-22-9
CAS Name: (5R)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(4-piperidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(4-piperidylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C14H20N2O4S
MOLECULAR WEIGHT: 312.3846
SMILES: C[C@H](C1[C@H]2CC(=C(N2C1=O)C(=O)O)SC3CCNCC3)O
Structure:
CAS RN: 102906-54-7
CAS Name: (4R,5S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-(4-piperidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (4R,5S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-(4-piperidylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (4R,5S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (4R,5S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H22N2O4S
MOLECULAR WEIGHT: 326.41118
SMILES: C[C@@H]1[C@@H]2C(C(=O)N2C(=C1SC3CCNCC3)C(=O)O)[C@@H](C)O
Structure:
CAS RN: 73651-49-7
CAS Name: disodium 4,5-diamino-1-hydroxy-9,10-dioxoanthracene-2,7-disulfonate
OPENEYE Name: disodium 4,5-diamino-1-hydroxy-9,10-dioxo-anthracene-2,7-disulfonate
IUPAC Name: disodium 4,5-diamino-1-hydroxy-9,10-dioxoanthracene-2,7-disulfonate
SYSTEMATIC NAME: disodium 4,5-bis(azanyl)-1-oxidanyl-9,10-bis(oxidanylidene)anthracene-2,7-disulfonate
MOLECULAR FORMULA: C14H8N2Na2O9S2
MOLECULAR WEIGHT: 458.33086
SMILES: C1=C(C=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 69019-71-2
CAS Name: diethyl-[2-[[1,5,8-tris[2-(diethylammonio)ethoxy]-9,10-dioxo-2-anthracenyl]oxy]ethyl]ammonium tetrachloride
OPENEYE Name: diethyl-[2-[[1,5,8-tris[2-(diethylammonio)ethoxy]-9,10-dioxo-2-anthryl]oxy]ethyl]ammonium tetrachloride
IUPAC Name: diethyl-[2-[1,5,8-tris[2-(diethylazaniumyl)ethoxy]-9,10-dioxoanthracen-2-yl]oxyethyl]azanium tetrachloride
SYSTEMATIC NAME: diethyl-[2-[1,5,8-tris[2-(diethylazaniumyl)ethoxy]-9,10-bis(oxidanylidene)anthracen-2-yl]oxyethyl]azanium tetrachloride
MOLECULAR FORMULA: C38H64Cl4N4O6
MOLECULAR WEIGHT: 814.74996
SMILES: CC[NH+](CC)CCOC1=C2C(=C(C=C1)OCC[NH+](CC)CC)C(=O)C3=C(C2=O)C=CC(=C3OCC[NH+](CC)CC)OCC[NH+](CC)CC.[Cl-].[Cl-].[Cl-].[Cl-]
Structure:
CAS RN: 60197-68-4
CAS Name: acetic acid [(3R,6S)-4,5,6-triacetyloxy-2-[(8-hydroxy-9,10-dioxo-1-anthracenyl)oxymethyl]-3-oxanyl] ester
OPENEYE Name: [(3R,6S)-4,5,6-triacetoxy-2-[(8-hydroxy-9,10-dioxo-1-anthryl)oxymethyl]tetrahydropyran-3-yl] acetate
IUPAC Name: [(3R,6S)-4,5,6-triacetyloxy-2-[(8-hydroxy-9,10-dioxoanthracen-1-yl)oxymethyl]oxan-3-yl] acetate
SYSTEMATIC NAME: [(3R,6S)-4,5,6-triacetyloxy-2-[[8-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]oxymethyl]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C28H26O13
MOLECULAR WEIGHT: 570.49824
SMILES: CC(=O)O[C@@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)OC(=O)C)COC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4O
Structure:
CAS RN: 69657-90-5
CAS Name: acetic acid [(3R,6S)-4,5,6-triacetyloxy-2-[(4-hydroxy-9,10-dioxo-1-anthracenyl)oxymethyl]-3-oxanyl] ester
OPENEYE Name: [(3R,6S)-4,5,6-triacetoxy-2-[(4-hydroxy-9,10-dioxo-1-anthryl)oxymethyl]tetrahydropyran-3-yl] acetate
IUPAC Name: [(3R,6S)-4,5,6-triacetyloxy-2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)oxymethyl]oxan-3-yl] acetate
SYSTEMATIC NAME: [(3R,6S)-4,5,6-triacetyloxy-2-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]oxymethyl]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C28H26O13
MOLECULAR WEIGHT: 570.49824
SMILES: CC(=O)O[C@@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)OC(=O)C)COC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 60197-67-3
CAS Name: acetic acid [(3R,6S)-4,5,6-triacetyloxy-2-[(1-hydroxy-9,10-dioxo-2-anthracenyl)oxymethyl]-3-oxanyl] ester
OPENEYE Name: [(3R,6S)-4,5,6-triacetoxy-2-[(1-hydroxy-9,10-dioxo-2-anthryl)oxymethyl]tetrahydropyran-3-yl] acetate
IUPAC Name: [(3R,6S)-4,5,6-triacetyloxy-2-[(1-hydroxy-9,10-dioxoanthracen-2-yl)oxymethyl]oxan-3-yl] acetate
SYSTEMATIC NAME: [(3R,6S)-4,5,6-triacetyloxy-2-[[1-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxymethyl]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C28H26O13
MOLECULAR WEIGHT: 570.49824
SMILES: CC(=O)O[C@@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)OC(=O)C)COC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 31297-82-2
CAS Name: 1-hydroxy-2-[[(3S,6R)-3,4,5,6-tetrahydroxy-2-oxanyl]methoxy]anthracene-9,10-dione
OPENEYE Name: 1-hydroxy-2-[[(3S,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]anthracene-9,10-dione
IUPAC Name: 1-hydroxy-2-[[(3S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]anthracene-9,10-dione
SYSTEMATIC NAME: 1-oxidanyl-2-[[(3S,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]anthracene-9,10-dione
MOLECULAR FORMULA: C20H18O9
MOLECULAR WEIGHT: 402.35152
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)OCC4[C@H](C(C([C@@H](O4)O)O)O)O)O
Structure:
CAS RN: 53797-18-5
CAS Name: 1-hydroxy-8-[[(3S,6R)-3,4,5,6-tetrahydroxy-2-oxanyl]methoxy]anthracene-9,10-dione
OPENEYE Name: 1-hydroxy-8-[[(3S,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]anthracene-9,10-dione
IUPAC Name: 1-hydroxy-8-[[(3S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]anthracene-9,10-dione
SYSTEMATIC NAME: 1-oxidanyl-8-[[(3S,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]anthracene-9,10-dione
MOLECULAR FORMULA: C20H18O9
MOLECULAR WEIGHT: 402.35152
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OCC4[C@H](C(C([C@@H](O4)O)O)O)O
Structure:
CAS RN: 39115-11-2
CAS Name: 1-hydroxy-4-[[(3S,6R)-3,4,5,6-tetrahydroxy-2-oxanyl]methoxy]anthracene-9,10-dione
OPENEYE Name: 1-hydroxy-4-[[(3S,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]anthracene-9,10-dione
IUPAC Name: 1-hydroxy-4-[[(3S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]anthracene-9,10-dione
SYSTEMATIC NAME: 1-oxidanyl-4-[[(3S,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]anthracene-9,10-dione
MOLECULAR FORMULA: C20H18O9
MOLECULAR WEIGHT: 402.35152
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)OCC4[C@H](C(C([C@@H](O4)O)O)O)O)O
Structure:
CAS RN: 96971-36-7
CAS Name: (8S,9S,10R,13S,14S,17R)-17-(2-anilino-4-thiazolyl)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: (8S,9S,10R,13S,14S,17R)-17-(2-anilinothiazol-4-yl)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
IUPAC Name: (8S,9S,10R,13S,14S,17R)-17-(2-anilino-1,3-thiazol-4-yl)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-phenylazanyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C28H32N2O3S
MOLECULAR WEIGHT: 476.63028
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)NC6=CC=CC=C6)O)C
Structure:
CAS RN: 95191-09-6
CAS Name: (8S,9S,10R,13S,14S,17R)-17-(2-amino-4-thiazolyl)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: (8S,9S,10R,13S,14S,17R)-17-(2-aminothiazol-4-yl)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
IUPAC Name: (8S,9S,10R,13S,14S,17R)-17-(2-amino-1,3-thiazol-4-yl)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17R)-17-(2-azanyl-1,3-thiazol-4-yl)-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C22H28N2O3S
MOLECULAR WEIGHT: 400.53432
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)N)O)C
Structure:
CAS RN: 93458-18-5
CAS Name: 5-(diaminomethylideneamino)pentyl-trimethylammonium iodide hydroiodide
OPENEYE Name: 5-guanidinopentyl(trimethyl)ammonium iodide hydroiodide
IUPAC Name: 5-(diaminomethylideneamino)pentyl-trimethylazanium iodide hydroiodide
SYSTEMATIC NAME: 5-[bis(azanyl)methylideneamino]pentyl-trimethyl-azanium iodide hydroiodide
MOLECULAR FORMULA: C9H24I2N4
MOLECULAR WEIGHT: 442.1226
SMILES: C[N+](C)(C)CCCCCN=C(N)N.I.[I-]
Structure:
CAS RN: 102571-45-9
CAS Name: [2-(3-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-diethyl-methylammonium iodide
OPENEYE Name: diethyl-methyl-(2-norbornan-2-yloxy-2-oxo-ethyl)ammonium iodide
IUPAC Name: [2-(3-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-diethyl-methylazanium iodide
SYSTEMATIC NAME: [2-(3-bicyclo[2.2.1]heptanyloxy)-2-oxidanylidene-ethyl]-diethyl-methyl-azanium iodide
MOLECULAR FORMULA: C14H26INO2
MOLECULAR WEIGHT: 367.26621
SMILES: CC[N+](C)(CC)CC(=O)OC1CC2CCC1C2.[I-]
Structure:
CAS RN: 91443-11-7
CAS Name: 3-[[1-(cyanomethyl)-2-pyrrolidinylidene]amino]propanoic acid hydrate
OPENEYE Name: 3-[[1-(cyanomethyl)pyrrolidin-2-ylidene]amino]propanoic acid hydrate
IUPAC Name: 3-[[1-(cyanomethyl)pyrrolidin-2-ylidene]amino]propanoic acid hydrate
SYSTEMATIC NAME: 3-[[1-(cyanomethyl)pyrrolidin-2-ylidene]amino]propanoic acid hydrate
MOLECULAR FORMULA: C9H15N3O3
MOLECULAR WEIGHT: 213.2337
SMILES: C1CC(=NCCC(=O)O)N(C1)CC#N.O
Structure:
CAS RN: 104775-17-9
CAS Name: 2-[[(Z)-(3-chloro-5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-(4-chlorophenyl)methyl]amino]propanoic acid
OPENEYE Name: 2-[[(Z)-(3-chloro-5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-(4-chlorophenyl)methyl]amino]propanoic acid
IUPAC Name: 2-[[(Z)-(3-chloro-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-(4-chlorophenyl)methyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[[(Z)-(3-chloranyl-5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-(4-chlorophenyl)methyl]amino]propanoic acid
MOLECULAR FORMULA: C17H15Cl2NO3
MOLECULAR WEIGHT: 352.2119
SMILES: CC1=CC(=C/C(=C(\C2=CC=C(C=C2)Cl)/NC(C)C(=O)O)/C1=O)Cl
Structure:
CAS RN: 96408-99-0
CAS Name: (2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]propanoic acid (phenylmethyl) ester
OPENEYE Name: benzyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
IUPAC Name: benzyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
SYSTEMATIC NAME: (phenylmethyl) (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
MOLECULAR FORMULA: C13H16ClN3O4
MOLECULAR WEIGHT: 313.73684
SMILES: C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 3223-07-2
CAS Name: [(1S)-2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]ammonium chloride
OPENEYE Name: [(1S)-2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxy-ethyl]ammonium chloride
IUPAC Name: [(1S)-2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride
SYSTEMATIC NAME: [(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride
MOLECULAR FORMULA: C13H19Cl3N2O2
MOLECULAR WEIGHT: 341.66116
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)[NH3+])N(CCCl)CCCl.[Cl-]
Structure:
CAS RN: 102516-63-2
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid methyl ester hexahydrochloride
OPENEYE Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hexahydrochloride
IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hexahydrochloride
SYSTEMATIC NAME: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hexahydrochloride
MOLECULAR FORMULA: C32H61Cl8N11O5
MOLECULAR WEIGHT: 963.52144
SMILES: CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N.Cl.Cl.Cl.Cl.Cl.Cl
Structure:
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