Thursday, December 1, 2011

All Chemical Compounds Information



Product OPENEYE NAME: 2-(2-chloro-6-fluoro-phenyl)-5-(4-chlorophenyl)-3H-benzo[e]benzimidazole
CAS Name: 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-3H-benzo[e]benzimidazole
IUPAC NAME: 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-3H-benzo[e]benzimidazole
SYSTEMATIC NAME: 2-(2-chloranyl-6-fluoranyl-phenyl)-5-(4-chlorophenyl)-3H-benzo[e]benzimidazole
MOLECULAR FORMULA: C23H13Cl2FN2
MOLECULAR WEIGHT: 407.267123
SMILES: C1=CC=C2C(=C1)C(=CC3=C2N=C(N3)C4=C(C=CC=C4Cl)F)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: 2-(2-chlorophenyl)-3H-benzo[e]benzimidazole
CAS Name: 2-(2-chlorophenyl)-3H-benzo[e]benzimidazole
IUPAC NAME: 2-(2-chlorophenyl)-3H-benzo[e]benzimidazole
SYSTEMATIC NAME: 2-(2-chlorophenyl)-3H-benzo[e]benzimidazole
MOLECULAR FORMULA: C17H11ClN2
MOLECULAR WEIGHT: 278.73564
SMILES: C1=CC=C2C(=C1)C=CC3=C2N=C(N3)C4=CC=CC=C4Cl
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Product OPENEYE NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentane-1-sulfonic acid
CAS Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-pentanesulfonic acid
IUPAC NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentane-1-sulfonic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentane-1-sulfonic acid
MOLECULAR FORMULA: C24H42O6S
MOLECULAR WEIGHT: 458.65168
SMILES: C[C@H](CCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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Product OPENEYE NAME: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
CAS Name: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]ethanesulfonic acid
IUPAC NAME: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
MOLECULAR FORMULA: C28H49NO4S
MOLECULAR WEIGHT: 495.75796
SMILES: CC[C@H]1C[C@@H]2CCCC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCC(=O)NCCS(=O)(=O)O)C
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Product OPENEYE NAME: N-[(1R)-1-[[(1S)-1-benzyl-2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]-4-guanidino-butyl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CAS Name: N-[(2R)-5-(diaminomethylideneamino)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]pentan-2-yl]-2,6-bis[[1-oxo-2-(4-phenylphenyl)ethyl]amino]hexanamide
IUPAC NAME: N-[(2R)-5-(diaminomethylideneamino)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]pentan-2-yl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
SYSTEMATIC NAME: N-[(2R)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]pentan-2-yl]-2,6-bis[2-(4-phenylphenyl)ethanoylamino]hexanamide
MOLECULAR FORMULA: C57H64N8O5
MOLECULAR WEIGHT: 941.16866
SMILES: C1=CC=C(C=C1)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CCCCNC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)CC5=CC=C(C=C5)C6=CC=CC=C6
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Product OPENEYE NAME: (3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-17-[(1R)-4-hydroxy-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
CAS Name: (3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
IUPAC NAME: (3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
SYSTEMATIC NAME: (3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-oxidanylpentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
MOLECULAR FORMULA: C24H42O4
MOLECULAR WEIGHT: 394.58788
SMILES: C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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Product OPENEYE NAME: (3R)-3-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
CAS Name: (3R)-3-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
IUPAC NAME: (3R)-3-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
SYSTEMATIC NAME: (3R)-3-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
MOLECULAR FORMULA: C23H38O5
MOLECULAR WEIGHT: 394.54482
SMILES: C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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Product OPENEYE NAME: (2S)-2-[(3R,5S,7R,8R,9S,10S,12R,13S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
CAS Name: (2S)-2-[(3R,5S,7R,8R,9S,10S,12R,13S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
IUPAC NAME: (2S)-2-[(3R,5S,7R,8R,9S,10S,12R,13S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[(3R,5S,7R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C)C(=O)O
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Product OPENEYE NAME: [(2R,5R)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
CAS Name: [(2R,5R)-5-(6-aminopurin-9-yl)-2-oxolanyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
IUPAC NAME: [(2R,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
SYSTEMATIC NAME: [(2R,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid
MOLECULAR FORMULA: C10H16N5O11P3
MOLECULAR WEIGHT: 475.182223
SMILES: C1C[C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O
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Product OPENEYE NAME: [hydroxy(phosphonooxy)phosphoryl]oxy-[[(2R,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]oxymethyl]phosphinic acid
CAS Name: [hydroxy(phosphonooxy)phosphoryl]oxy-[[(2R,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]oxymethyl]phosphinic acid
IUPAC NAME: [hydroxy(phosphonooxy)phosphoryl]oxy-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]oxymethyl]phosphinic acid
SYSTEMATIC NAME: [(2R,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid
MOLECULAR FORMULA: C10H17N2O13P3
MOLECULAR WEIGHT: 466.168863
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O
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Product OPENEYE NAME: sodium [4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] phosphate
CAS Name: sodium [4-chloro-3-[5-methyl-3-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-1,2,4-benzotriazin-7-yl]phenyl] phosphate
IUPAC NAME: sodium [4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] phosphate
SYSTEMATIC NAME: sodium [4-chloranyl-3-[5-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]-1,2,4-benzotriazin-7-yl]phenyl] phosphate
MOLECULAR FORMULA: C26H25ClN5NaO5P-
MOLECULAR WEIGHT: 576.923731
SMILES: CC1=C2C(=CC(=C1)C3=C(C=CC(=C3)OP(=O)([O-])[O-])Cl)N=NC(=N2)NC4=CC=C(C=C4)OCCN5CCCC5.[Na+]
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Product OPENEYE NAME: (2R)-N-[1-benzyl-2-oxo-2-(2-phenylethylamino)ethyl]-5-guanidino-2-[[3-[(4-methoxyphenyl)methylsulfanyl]-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanamide
CAS Name: (2R)-5-(diaminomethylideneamino)-2-[[3-[(4-methoxyphenyl)methylthio]-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]-N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
IUPAC NAME: (2R)-5-(diaminomethylideneamino)-2-[[3-[(4-methoxyphenyl)methylsulfanyl]-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-2-[[3-[(4-methoxyphenyl)methylsulfanyl]-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]-N-[1-oxidanylidene-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
MOLECULAR FORMULA: C48H55N7O5S
MOLECULAR WEIGHT: 842.0592
SMILES: COC1=CC=C(C=C1)CSCC(C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5
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