CAS RN: 4991-68-8
CAS Name: N,N-dimethyl-2-[4-(phenylmethyl)-1-piperidinyl]ethanamine dihydrochloride
OPENEYE Name: 2-(4-benzyl-1-piperidyl)-N,N-dimethyl-ethanamine dihydrochloride
IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine dihydrochloride
SYSTEMATIC NAME: N,N-dimethyl-2-[4-(phenylmethyl)piperidin-1-yl]ethanamine dihydrochloride
MOLECULAR FORMULA: C16H28Cl2N2
MOLECULAR WEIGHT: 319.31292
SMILES: CN(C)CCN1CCC(CC1)CC2=CC=CC=C2.Cl.Cl
Structure:
CAS RN: 64063-83-8
CAS Name: 2-(2-hydroxyethylamino)ethanol; 5-(triphenylmethyl)-2-pyridinecarboxylic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; 5-tritylpyridine-2-carboxylic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 5-tritylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; 5-(triphenylmethyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C29H30N2O4
MOLECULAR WEIGHT: 470.5595
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CN=C(C=C4)C(=O)O.C(CO)NCCO
Structure:
CAS RN: 59831-62-8
CAS Name: disodium (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-4,5-dihydroisoxazol-3-olate hydrate
OPENEYE Name: disodium (4R)-4-[[(E)-1-methyl-3-oxo-but-1-enyl]amino]-4,5-dihydroisoxazol-3-olate hydrate
IUPAC Name: disodium (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-4,5-dihydro-1,2-oxazol-3-olate hydrate
SYSTEMATIC NAME: disodium (4R)-4-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]-4,5-dihydro-1,2-oxazol-3-olate hydrate
MOLECULAR FORMULA: C16H24N4Na2O7
MOLECULAR WEIGHT: 430.3639
SMILES: C/C(=C\C(=O)C)/N[C@H]1C(=NOC1)[O-].C/C(=C\C(=O)C)/N[C@H]1C(=NOC1)[O-].O.[Na+].[Na+]
Structure:
CAS RN: 11056-18-1
CAS Name: 3-[[(10E,12E,20E)-15-[(E)-12-[[amino(methylimino)methyl]amino]-4-methyldodec-8-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[[(10E,12E,20E)-15-[(E)-1,3-dimethyl-11-[(N'-methylcarbamimidoyl)amino]undec-7-enyl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxo-propanoic acid
IUPAC Name: 3-oxo-3-[[(10E,12E,20E)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]propanoic acid
SYSTEMATIC NAME: 3-[[(10E,12E,20E)-8,14,18,22,26,30-hexamethyl-15-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxidan
MOLECULAR FORMULA: C59H103N3O18
MOLECULAR WEIGHT: 1142.45842
SMILES: CC1CCC(C(C(CC(C(/C=C/C(C(C(=O)OC(C(/C=C/C=C/C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)C(C)CC(C)CCC/C=C/CCCNC(=NC)N)C)O)C)O)O)C)O
Structure:
CAS RN: 23277-50-1
CAS Name: 2-hydroxybenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
OPENEYE Name: 2-hydroxybenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC Name: 2-hydroxybenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C14H23NO8
MOLECULAR WEIGHT: 333.33432
SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC=C(C(=C1)C(=O)O)O
Structure:
CAS RN: 28038-04-2
CAS Name: magnesium; 2-hydroxybenzoate; 2-hydroxyethyl(trimethyl)ammonium; sulfate; tetrahydrate
OPENEYE Name: magnesium; 2-hydroxybenzoate; 2-hydroxyethyl(trimethyl)ammonium; sulfate; tetrahydrate
IUPAC Name: magnesium; 2-hydroxybenzoate; 2-hydroxyethyl(trimethyl)azanium; sulfate; tetrahydrate
SYSTEMATIC NAME: magnesium; 2-hydroxyethyl(trimethyl)azanium; 2-oxidanylbenzoate; sulfate; tetrahydrate
MOLECULAR FORMULA: C24H46MgN2O16S
MOLECULAR WEIGHT: 674.99584
SMILES: C[N+](C)(C)CCO.C[N+](C)(C)CCO.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.O.O.O.O.[O-]S(=O)(=O)[O-].[Mg+2]
Structure:
CAS RN: 590-31-8
CAS Name: 2-methoxyprop-2-enyl(trimethyl)ammonium bromide
OPENEYE Name: 2-methoxyallyl(trimethyl)ammonium bromide
IUPAC Name: 2-methoxyprop-2-enyl(trimethyl)azanium bromide
SYSTEMATIC NAME: 2-methoxyprop-2-enyl(trimethyl)azanium bromide
MOLECULAR FORMULA: C7H16BrNO
MOLECULAR WEIGHT: 210.11204
SMILES: C[N+](C)(C)CC(=C)OC.[Br-]
Structure:
CAS RN: 7518-35-6
CAS Name: methanesulfonic acid [(2R,3S,4S,5R)-3,4-dihydroxy-2,5,6-tris(methylsulfonyloxy)hexyl] ester
OPENEYE Name: [(2R,3S,4S,5R)-3,4-dihydroxy-2,5,6-tris(methylsulfonyloxy)hexyl] methanesulfonate
IUPAC Name: [(2R,3S,4S,5R)-3,4-dihydroxy-2,5,6-tris(methylsulfonyloxy)hexyl] methanesulfonate
SYSTEMATIC NAME: [(2R,3S,4S,5R)-2,5,6-tris(methylsulfonyloxy)-3,4-bis(oxidanyl)hexyl] methanesulfonate
MOLECULAR FORMULA: C10H22O14S4
MOLECULAR WEIGHT: 494.53328
SMILES: CS(=O)(=O)OC[C@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)C)OS(=O)(=O)C)O)O)OS(=O)(=O)C
Structure:
CAS RN: 15179-97-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26BrNO2
MOLECULAR WEIGHT: 392.32994
SMILES: C[C@]12CC[C@@H]3C4=C(CCN3[C@@H]1CC[C@]2(C#C)O)C=C(C=C4)OC.Br
Structure:
CAS RN: 2355-59-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H35FO6
MOLECULAR WEIGHT: 438.529503
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F
Structure:
CAS RN: 23226-37-1
CAS Name: 4-methylbenzenesulfonic acid; N-methyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)-1-propanamine
OPENEYE Name: 4-methylbenzenesulfonic acid; N-methyl-3-(3-methyl-1-phenyl-indolin-3-yl)propan-1-amine
IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)propan-1-amine
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; N-methyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)propan-1-amine
MOLECULAR FORMULA: C26H32N2O3S
MOLECULAR WEIGHT: 452.60888
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CN(C2=CC=CC=C21)C3=CC=CC=C3)CCCNC
Structure:
CAS RN: 5695-98-7
CAS Name: (E)-2-butenedioic acid; (5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone
OPENEYE Name: fumaric acid; (5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one
IUPAC Name: (E)-but-2-enedioic acid; (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; (5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
MOLECULAR FORMULA: C24H28N4O6
MOLECULAR WEIGHT: 468.50232
SMILES: CN1[C@@H](CCC1=O)C2=CN=CC=C2.CN1[C@@H](CCC1=O)C2=CN=CC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 424-89-5
CAS Name: acetic acid [(8R,9S,10R,13S,14S,16R,17R)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,16R,17R)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8R,9S,10R,13S,14S,16R,17R)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,16R,17R)-6-chloranyl-17-ethanoyl-10,13,16-trimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H31ClO4
MOLECULAR WEIGHT: 418.95354
SMILES: C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)OC(=O)C)C)C)Cl
Structure:
CAS RN: 3044-32-4
CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6-chloro-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetoxy-17-acetyl-6-chloro-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6-chloro-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-6-chloranyl-17-ethanoyl-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H33ClO5
MOLECULAR WEIGHT: 448.97952
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)OC(=O)C)Cl)C)OC(=O)C
Structure:
CAS RN: 23257-58-1
CAS Name: (2R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine hydrochloride
OPENEYE Name: (2R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine hydrochloride
IUPAC Name: (2R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine hydrochloride
SYSTEMATIC NAME: (2R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine hydrochloride
MOLECULAR FORMULA: C20H24ClNO2
MOLECULAR WEIGHT: 345.86306
SMILES: C1CCN[C@H](C1)[C@@H]2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
Structure:
CAS RN: 129388-07-4
CAS Name: 4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol; (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanoic acid
OPENEYE Name: 4-[2-[[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]benzene-1,2-diol; (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid
IUPAC Name: 4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol; (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
SYSTEMATIC NAME: (2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoic acid; 4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C30H45NO15
MOLECULAR WEIGHT: 659.676
SMILES: C[C@@H](CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O
Structure:
CAS RN: 51473-23-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22ClN3O3S
MOLECULAR WEIGHT: 395.90358
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CC#N.CS(=O)(=O)O
Structure:
CAS RN: 76738-96-0
CAS Name: butanoic acid [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(1-oxopropyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
IUPAC Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
SYSTEMATIC NAME: [(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
MOLECULAR FORMULA: C26H38O5
MOLECULAR WEIGHT: 430.57692
SMILES: CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CC
Structure:
CAS RN: 76675-97-3
CAS Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-(1-oxopropyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H32O4
MOLECULAR WEIGHT: 360.48708
SMILES: CCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
Structure:
CAS RN: 57666-60-1
CAS Name: 5-(2-nitrophenyl)-2-furancarboximidamide hydrochloride
OPENEYE Name: 5-(2-nitrophenyl)furan-2-carboxamidine hydrochloride
IUPAC Name: 5-(2-nitrophenyl)furan-2-carboximidamide hydrochloride
SYSTEMATIC NAME: 5-(2-nitrophenyl)furan-2-carboximidamide hydrochloride
MOLECULAR FORMULA: C11H10ClN3O3
MOLECULAR WEIGHT: 267.6684
SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C(=N)N)[N+](=O)[O-].Cl
Structure:
CAS RN: 16915-80-3
CAS Name: 3-phenylpropanoic acid [(1R)-1-[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ester
OPENEYE Name: [(1R)-1-[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 3-phenylpropanoate
IUPAC Name: [(1R)-1-[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 3-phenylpropanoate
SYSTEMATIC NAME: [(1R)-1-[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 3-phenylpropanoate
MOLECULAR FORMULA: C29H38O3
MOLECULAR WEIGHT: 434.61022
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)CCC5=CC=CC=C5
Structure:
CAS RN: 78186-33-1
CAS Name: (2S,5R,6R)-6-[[(2R)-2-(2-furanylmethylideneamino)-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[(2R)-2-(2-furylmethyleneamino)-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-(furan-2-ylmethylideneamino)-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[(2R)-2-(furan-2-ylmethylideneamino)-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H21N3O6S
MOLECULAR WEIGHT: 443.47294
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N=CC4=CC=CO4)C(=O)O)C
Structure:
CAS RN: 54870-27-8
CAS Name: disodium 2-[hydroxy(oxido)phosphoryl]acetate hydrate
OPENEYE Name: disodium 2-[hydroxy(oxido)phosphoryl]acetate hydrate
IUPAC Name: disodium 2-[hydroxy(oxido)phosphoryl]acetate hydrate
SYSTEMATIC NAME: disodium 2-[oxidanidyl(oxidanyl)phosphoryl]ethanoate hydrate
MOLECULAR FORMULA: C2H5Na2O6P
MOLECULAR WEIGHT: 202.010801
SMILES: C(C(=O)[O-])P(=O)(O)[O-].O.[Na+].[Na+]
Structure:
CAS RN: 60135-22-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H34F2O7
MOLECULAR WEIGHT: 496.540766
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)C(OC)OC)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O
Structure:
CAS RN: 59018-13-2
CAS Name: 3-[[2-[[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
OPENEYE Name: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC Name: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 3-[2-[[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonylamino]ethanoylamino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C31H38I6N6O13
MOLECULAR WEIGHT: 1464.09264
SMILES: CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 63941-73-1
CAS Name: 3-[acetyl(2-hydroxyethyl)amino]-2,4,6-triiodo-N-methyl-5-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexyl]amino]benzamide
OPENEYE Name: 3-[acetyl(2-hydroxyethyl)amino]-2,4,6-triiodo-N-methyl-5-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
IUPAC Name: 3-[acetyl(2-hydroxyethyl)amino]-2,4,6-triiodo-N-methyl-5-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
SYSTEMATIC NAME: 3-[ethanoyl(2-hydroxyethyl)amino]-2,4,6-tris(iodanyl)-N-methyl-5-[[(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoyl]amino]benzamide
MOLECULAR FORMULA: C18H24I3N3O9
MOLECULAR WEIGHT: 807.11127
SMILES: CC(=O)N(CCO)C1=C(C(=C(C(=C1I)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)I)C(=O)NC)I
Structure:
CAS RN: 149908-23-6
CAS Name: (2R)-2-acetamido-3-[[(2-hydroxyphenyl)-oxomethyl]thio]propanoic acid; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2
OPENEYE Name: (2R)-2-acetamido-3-(2-hydroxybenzoyl)sulfanyl-propanoic acid; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-
IUPAC Name: (2R)-2-acetamido-3-(2-hydroxybenzoyl)sulfanylpropanoic acid; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-
SYSTEMATIC NAME: (2R)-2-acetamido-3-(2-hydroxyphenyl)carbonylsulfanyl-propanoic acid; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9
MOLECULAR FORMULA: C49H84N2O20S
MOLECULAR WEIGHT: 1053.25766
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.CC(=O)N[C@@H](CSC(=O)C1=CC=CC=C1O)C(=O)O.O.O
Structure:
CAS RN: 10390-18-8
CAS Name: 4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol hydrochloride
OPENEYE Name: 4-[(1R,2S)-2-amino-1-hydroxy-propyl]benzene-1,2-diol hydrochloride
IUPAC Name: 4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol hydrochloride
SYSTEMATIC NAME: 4-[(1R,2S)-2-azanyl-1-oxidanyl-propyl]benzene-1,2-diol hydrochloride
MOLECULAR FORMULA: C9H14ClNO3
MOLECULAR WEIGHT: 219.66536
SMILES: C[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)N.Cl
Structure:
CAS RN: 5714-05-6
CAS Name: acetic acid; N,N'-bis(2-methyl-4-quinolinyl)decane-1,10-diamine; dihydrate
OPENEYE Name: acetic acid; N,N'-bis(2-methyl-4-quinolyl)decane-1,10-diamine; dihydrate
IUPAC Name: acetic acid; N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine; dihydrate
SYSTEMATIC NAME: N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine; ethanoic acid; dihydrate
MOLECULAR FORMULA: C34H50N4O6
MOLECULAR WEIGHT: 610.784
SMILES: CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCCNC3=CC(=NC4=CC=CC=C43)C.CC(=O)O.CC(=O)O.O.O
Structure:
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