CAS RN: 67465-04-7
CAS Name: N-(phenylmethyl)-2-pyridinamine hydrochloride
OPENEYE Name: N-benzylpyridin-2-amine hydrochloride
IUPAC Name: N-benzylpyridin-2-amine hydrochloride
SYSTEMATIC NAME: N-(phenylmethyl)pyridin-2-amine hydrochloride
MOLECULAR FORMULA: C12H13ClN2
MOLECULAR WEIGHT: 220.69802
SMILES: C1=CC=C(C=C1)CNC2=CC=CC=N2.Cl
Structure:
CAS RN: 67464-99-7
CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone dihydrochloride
OPENEYE Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
SYSTEMATIC NAME: 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
MOLECULAR FORMULA: C20H28Cl2N4O4
MOLECULAR WEIGHT: 459.36672
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=NC=CC=N3.Cl.Cl
Structure:
CAS RN: 67464-98-6
CAS Name: 1-(3,4-dihydroxyphenyl)-2-hydroxy-2-methyl-1-propanone
OPENEYE Name: 1-(3,4-dihydroxyphenyl)-2-hydroxy-2-methyl-propan-1-one
IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-hydroxy-2-methylpropan-1-one
SYSTEMATIC NAME: 1-[3,4-bis(oxidanyl)phenyl]-2-methyl-2-oxidanyl-propan-1-one
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CC(C)(C(=O)C1=CC(=C(C=C1)O)O)O
Structure:
CAS RN: 67464-97-5
CAS Name: 3-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone dihydrochloride
OPENEYE Name: 3-[4-(p-tolylmethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
IUPAC Name: 3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
SYSTEMATIC NAME: 3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
MOLECULAR FORMULA: C24H34Cl2N2O4
MOLECULAR WEIGHT: 485.44376
SMILES: CC1=CC=C(C=C1)CN2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl
Structure:
CAS RN: 67463-05-2
CAS Name: 2-propenoic acid [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetoxy-10-(acetoxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] prop-2-enoate
IUPAC Name: [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate
SYSTEMATIC NAME: [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-13-methyl-5,14-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] prop-2-enoate
MOLECULAR FORMULA: C28H40O9
MOLECULAR WEIGHT: 520.6118
SMILES: CC(=O)OC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)C=C)O)C)O)OC(=O)C
Structure:
CAS RN: 67462-38-8
CAS Name: 2-iodoacetic acid [2-[(3S,5R,8R,9S,10S,13R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(3S,5R,8R,9S,10S,13R,17R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2-iodoacetate
IUPAC Name: [2-[(3S,5R,8R,9S,10S,13R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
SYSTEMATIC NAME: [2-[(3S,5R,8R,9S,10S,13R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 2-iodanylethanoate
MOLECULAR FORMULA: C25H35IO5
MOLECULAR WEIGHT: 542.44687
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@H]4C(=O)COC(=O)CI)C)C
Structure:
CAS RN: 67462-37-7
CAS Name: 2-propenoic acid [2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] prop-2-enoate
IUPAC Name: [2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate
SYSTEMATIC NAME: [2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] prop-2-enoate
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2C(=O)COC(=O)C=C)CCC4=CC(=O)CC[C@]34C
Structure:
CAS RN: 67462-36-6
CAS Name: acetic acid [2-[(8R,9S,10R,13S,14R,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(8R,9S,10R,13S,14R,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(8R,9S,10R,13S,14R,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(8R,9S,10R,13S,14R,17R)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
Structure:
CAS RN: 67462-35-5
CAS Name: acetic acid [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C25H38O6
MOLECULAR WEIGHT: 434.56562
SMILES: CC(=O)OCC(=O)[C@@H]1CC[C@]2([C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O
Structure:
CAS RN: 67462-34-4
CAS Name: 2-iodoacetic acid [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2-iodoacetate
IUPAC Name: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
SYSTEMATIC NAME: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 2-iodanylethanoate
MOLECULAR FORMULA: C25H37IO6
MOLECULAR WEIGHT: 560.46215
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)CI)O)C)C
Structure:
CAS RN: 67462-33-3
CAS Name: 2-chloroacetic acid [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2-chloroacetate
IUPAC Name: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-chloroacetate
SYSTEMATIC NAME: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 2-chloranylethanoate
MOLECULAR FORMULA: C25H37ClO6
MOLECULAR WEIGHT: 469.01068
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)CCl)O)C)C
Structure:
CAS RN: 67462-32-2
CAS Name: 2-propenoic acid [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] prop-2-enoate
IUPAC Name: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate
SYSTEMATIC NAME: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] prop-2-enoate
MOLECULAR FORMULA: C26H38O6
MOLECULAR WEIGHT: 446.57632
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)C=C)O)C)C
Structure:
CAS RN: 67445-50-5
CAS Name: (butylthio)-tripropylstannane
OPENEYE Name: butylsulfanyl(tripropyl)stannane
IUPAC Name: butylsulfanyl(tripropyl)stannane
SYSTEMATIC NAME: butylsulfanyl(tripropyl)stannane
MOLECULAR FORMULA: C13H30SSn
MOLECULAR WEIGHT: 337.1523
SMILES: CCCCS[Sn](CCC)(CCC)CCC
Structure:
CAS RN: 67441-25-2
CAS Name: (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
OPENEYE Name: (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
IUPAC Name: (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SYSTEMATIC NAME: (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
MOLECULAR FORMULA: C17H30O6
MOLECULAR WEIGHT: 330.4165
SMILES: CCCCCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
Structure:
CAS RN: 67441-24-1
CAS Name: 2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-bis(phenylmethyl)ethanamine
OPENEYE Name: N,N-dibenzyl-2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethanamine
IUPAC Name: N,N-dibenzyl-2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethanamine
SYSTEMATIC NAME: 2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-bis(phenylmethyl)ethanamine
MOLECULAR FORMULA: C28H37NO6
MOLECULAR WEIGHT: 483.59648
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OCCN(CC4=CC=CC=C4)CC5=CC=CC=C5)C
Structure:
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