Friday, July 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-(11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 6-(diethylamino)hexanoate
CAS Name: 6-(diethylamino)hexanoic acid [2-(11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 6-(diethylamino)hexanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[1,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] 6-(diethylamino)hexanoate
MOLECULAR FORMULA: C32H49NO6
MOLECULAR WEIGHT: 543.73456
SMILES: CCN(CC)CCCCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=C(C34C)C)O)C)O
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Product OPENEYE NAME: 2-(diethylamino)hexanoic acid
CAS Name: 2-(diethylamino)hexanoic acid
IUPAC NAME: 2-(diethylamino)hexanoic acid
SYSTEMATIC NAME: 2-(diethylamino)hexanoic acid
MOLECULAR FORMULA: C10H21NO2
MOLECULAR WEIGHT: 187.27924
SMILES: CCCCC(C(=O)O)N(CC)CC
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Product OPENEYE NAME: [2-(11,17-dihydroxy-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] 6-(diethylamino)hexanoate
CAS Name: 6-(diethylamino)hexanoic acid [2-(11,17-dihydroxy-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
IUPAC NAME: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 6-(diethylamino)hexanoate
SYSTEMATIC NAME: [2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 6-(diethylamino)hexanoate
MOLECULAR FORMULA: C31H49NO6
MOLECULAR WEIGHT: 531.72386
SMILES: CCN(CC)CCCCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
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Product OPENEYE NAME: [2-(11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 5-(diethylamino)pentanoate
CAS Name: 5-(diethylamino)pentanoic acid [2-(11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(11,17-dihydroxy-1,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 5-(diethylamino)pentanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[1,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] 5-(diethylamino)pentanoate
MOLECULAR FORMULA: C31H47NO6
MOLECULAR WEIGHT: 529.70798
SMILES: CCN(CC)CCCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=C(C34C)C)O)C)O
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Product OPENEYE NAME: 6-(diethylamino)hexan-1-ol carbonate
CAS Name: 6-(diethylamino)-1-hexanol carbonate
IUPAC NAME: 6-(diethylamino)hexan-1-ol carbonate
SYSTEMATIC NAME: 6-(diethylamino)hexan-1-ol carbonate
MOLECULAR FORMULA: C11H23NO4-2
MOLECULAR WEIGHT: 233.30462
SMILES: CCN(CC)CCCCCCO.C(=O)([O-])[O-]
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Product OPENEYE NAME: 2-(diethylamino)pentanoic acid
CAS Name: 2-(diethylamino)pentanoic acid
IUPAC NAME: 2-(diethylamino)pentanoic acid
SYSTEMATIC NAME: 2-(diethylamino)pentanoic acid
MOLECULAR FORMULA: C9H19NO2
MOLECULAR WEIGHT: 173.25266
SMILES: CCCC(C(=O)O)N(CC)CC
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Product OPENEYE NAME: 7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(2-formamidothiazol-4-yl)acetyl]amino]-3-[[1-[1-(4-methylpiperazin-1-yl)propyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(1-cyclopent-2-enyloxyimino)-2-(2-formamido-4-thiazolyl)-1-oxoethyl]amino]-3-[[[1-[1-(4-methyl-1-piperazinyl)propyl]-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[1-(4-methylpiperazin-1-yl)propyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(2-formamido-1,3-thiazol-4-yl)ethanoyl]amino]-3-[[1-[1-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C28H35N11O6S3
MOLECULAR WEIGHT: 717.8426
SMILES: CCC(N1CCN(CC1)C)N2C(=NN=N2)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC5CCC=C5)/C6=CSC(=N6)NC=O)SC3)C(=O)O
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[[1-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[[1-[3-(1,4-dimethyl-1-piperazin-1-iumyl)propyl]-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[1-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[1-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C24H34N11O5S3+
MOLECULAR WEIGHT: 652.79246
SMILES: CN1CC[N+](CC1)(C)CCCN2C(=NN=N2)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC)/C5=CSC(=N5)N)SC3)C(=O)O
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Product OPENEYE NAME: (2Z)-2-allyloxyimino-2-[2-[(2,2,2-trifluoroacetyl)amino]thiazol-4-yl]acetic acid
CAS Name: (2Z)-2-prop-2-enoxyimino-2-[2-[(2,2,2-trifluoro-1-oxoethyl)amino]-4-thiazolyl]acetic acid
IUPAC NAME: (2Z)-2-prop-2-enoxyimino-2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-4-yl]acetic acid
SYSTEMATIC NAME: (2Z)-2-prop-2-enoxyimino-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C10H8F3N3O4S
MOLECULAR WEIGHT: 323.24843
SMILES: C=CCO/N=C(/C1=CSC(=N1)NC(=O)C(F)(F)F)\C(=O)O
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Product OPENEYE NAME: 7-[[(2E)-2-allyloxyimino-2-(2-aminothiazol-4-yl)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C21H20N6O5S2
MOLECULAR WEIGHT: 500.5507
SMILES: C=CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]
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Product OPENEYE NAME: 7-[[(2E)-2-allyloxyimino-2-(2-aminothiazol-4-yl)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C21H21N6O5S2+
MOLECULAR WEIGHT: 501.55864
SMILES: C=CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)O
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