Wednesday, December 28, 2011

All Chemical Compounds Information



Product OPENEYE NAME: N,N-dimethyl-1-(7-methylsulfonylchroman-2-yl)methanamine
CAS Name: N,N-dimethyl-1-(7-methylsulfonyl-3,4-dihydro-2H-1-benzopyran-2-yl)methanamine
IUPAC NAME: N,N-dimethyl-1-(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methanamine
SYSTEMATIC NAME: N,N-dimethyl-1-(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methanamine
MOLECULAR FORMULA: C13H19NO3S
MOLECULAR WEIGHT: 269.35986
SMILES: CN(C)CC1CCC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 3-fluoro-N-[(7-methylsulfonylchroman-2-yl)methyl]propan-1-amine
CAS Name: 3-fluoro-N-[(7-methylsulfonyl-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-1-propanamine
IUPAC NAME: 3-fluoro-N-[(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
SYSTEMATIC NAME: 3-fluoranyl-N-[(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
MOLECULAR FORMULA: C14H20FNO3S
MOLECULAR WEIGHT: 301.376903
SMILES: CS(=O)(=O)C1=CC2=C(CCC(O2)CNCCCF)C=C1
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Product OPENEYE NAME: 2-methyl-N-[(7-methylsulfonylchroman-2-yl)methyl]propan-1-amine
CAS Name: 2-methyl-N-[(7-methylsulfonyl-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-1-propanamine
IUPAC NAME: 2-methyl-N-[(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
SYSTEMATIC NAME: 2-methyl-N-[(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
MOLECULAR FORMULA: C15H23NO3S
MOLECULAR WEIGHT: 297.41302
SMILES: CC(C)CNCC1CCC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-[(7-methylsulfonylchroman-2-yl)methyl]pyrrolidine
CAS Name: 1-[(7-methylsulfonyl-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]pyrrolidine
IUPAC NAME: 1-[(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine
SYSTEMATIC NAME: 1-[(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine
MOLECULAR FORMULA: C15H21NO3S
MOLECULAR WEIGHT: 295.39714
SMILES: CS(=O)(=O)C1=CC2=C(CCC(O2)CN3CCCC3)C=C1
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Product OPENEYE NAME: 3-[(6aR,8Z,10R,10aR,11aS)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]benzamide
CAS Name: 3-[(6aR,8Z,10R,10aR,11aS)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]benzamide
IUPAC NAME: 3-[(6aR,8Z,10R,10aR,11aS)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]benzamide
SYSTEMATIC NAME: 3-[(6aR,8Z,10R,10aR,11aS)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]benzamide
MOLECULAR FORMULA: C28H27N3O8
MOLECULAR WEIGHT: 533.52928
SMILES: CN(C)[C@@H]1[C@H]2C[C@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)C5=CC(=CC=C5)C(=O)N
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Product OPENEYE NAME: N-[4-[(6aR,8Z,10R,10aR,11aS)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-2-(tert-butylamino)acetamide
CAS Name: N-[4-[(6aR,8Z,10R,10aR,11aS)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-2-(tert-butylamino)acetamide
IUPAC NAME: N-[4-[(6aR,8Z,10R,10aR,11aS)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-2-(tert-butylamino)acetamide
SYSTEMATIC NAME: N-[4-[(6aR,8Z,10R,10aR,11aS)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-2-(tert-butylamino)ethanamide
MOLECULAR FORMULA: C33H38N4O8
MOLECULAR WEIGHT: 618.67682
SMILES: CC(C)(C)NCC(=O)NC1=CC=C(C=C1)C2=C3C[C@@H]4C[C@@H]5[C@H](C(=O)/C(=C(\N)/O)/C(=O)[C@@]5(C(=O)C4=C(C3=C(C=C2)O)O)O)N(C)C
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Product OPENEYE NAME: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(tetrahydropyran-4-ylamino)acetyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
CAS Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(4-oxanylamino)-1-oxoethyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
IUPAC NAME: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(oxan-4-ylamino)acetyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-7-[2-(oxan-4-ylamino)ethanoyl]-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
MOLECULAR FORMULA: C28H33N3O9
MOLECULAR WEIGHT: 555.57632
SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)C(=O)CNC5CCOCC5
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Product OPENEYE NAME: 4-[(6aR,8Z,10R,10aR,11aS)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-[2-(dimethylamino)ethyl]benzamide
CAS Name: 4-[(6aR,8Z,10R,10aR,11aS)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-[2-(dimethylamino)ethyl]benzamide
IUPAC NAME: 4-[(6aR,8Z,10R,10aR,11aS)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-[2-(dimethylamino)ethyl]benzamide
SYSTEMATIC NAME: 4-[(6aR,8Z,10R,10aR,11aS)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-[2-(dimethylamino)ethyl]benzamide
MOLECULAR FORMULA: C32H36N4O8
MOLECULAR WEIGHT: 604.65024
SMILES: CN(C)CCNC(=O)C1=CC=C(C=C1)C2=C3C[C@@H]4C[C@@H]5[C@H](C(=O)/C(=C(\N)/O)/C(=O)[C@@]5(C(=O)C4=C(C3=C(C=C2)O)O)O)N(C)C
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Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-3-(3-phenylpropanoyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(5S,8S,10aR)-6-oxo-3-(1-oxo-3-phenylpropyl)-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(5S,8S,10aR)-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-3-(3-phenylpropanoyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(5S,8S,10aR)-6-oxidanylidene-8-(4-phenyl-1H-benzimidazol-2-yl)-3-(3-phenylpropanoyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C35H40N6O3
MOLECULAR WEIGHT: 592.7305
SMILES: C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C3=NC4=C(C=CC=C4N3)C5=CC=CC=C5)C(=O)CCC6=CC=CC=C6)NC
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Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-3-[3-(4-fluorophenyl)propanoyl]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(5S,8S,10aR)-3-[3-(4-fluorophenyl)-1-oxopropyl]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(5S,8S,10aR)-3-[3-(4-fluorophenyl)propanoyl]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(5S,8S,10aR)-3-[3-(4-fluorophenyl)propanoyl]-6-oxidanylidene-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C35H39FN6O3
MOLECULAR WEIGHT: 610.720963
SMILES: C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C3=NC4=C(C=CC=C4N3)C5=CC=CC=C5)C(=O)CCC6=CC=C(C=C6)F)NC
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