Tuesday, February 28, 2012

http://ChemLookup.com Compounds




CAS RN: 63870-08-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26BrNO
MOLECULAR WEIGHT: 388.34124
SMILES: CC12CCN(C(C1)CC3=C2C=C(C=C3)O)CCC4=CC=CC=C4.Br
Structure:

CAS RN: 63870-07-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H24ClNO
MOLECULAR WEIGHT: 281.82086
SMILES: CCCC12CCN(C(C1)CC3=C2C=C(C=C3)O)C.Cl
Structure:

CAS RN: 63870-06-4
CAS Name: N-methyl-2-(4-phenyldiazenylphenoxy)-N-[2-(4-phenyldiazenylphenoxy)ethyl]ethanamine
OPENEYE Name: N-methyl-2-(4-phenylazophenoxy)-N-[2-(4-phenylazophenoxy)ethyl]ethanamine
IUPAC Name: N-methyl-2-(4-phenyldiazenylphenoxy)-N-[2-(4-phenyldiazenylphenoxy)ethyl]ethanamine
SYSTEMATIC NAME: N-methyl-2-(4-phenyldiazenylphenoxy)-N-[2-(4-phenyldiazenylphenoxy)ethyl]ethanamine
MOLECULAR FORMULA: C29H29N5O2
MOLECULAR WEIGHT: 479.57286
SMILES: CN(CCOC1=CC=C(C=C1)N=NC2=CC=CC=C2)CCOC3=CC=C(C=C3)N=NC4=CC=CC=C4
Structure:

CAS RN: 63870-01-9
CAS Name: 4-methyl-3H-1,5-benzothiazepin-2-one
OPENEYE Name: 4-methyl-3H-1,5-benzothiazepin-2-one
IUPAC Name: 4-methyl-3H-1,5-benzothiazepin-2-one
SYSTEMATIC NAME: 4-methyl-3H-1,5-benzothiazepin-2-one
MOLECULAR FORMULA: C10H9NOS
MOLECULAR WEIGHT: 191.24956
SMILES: CC1=NC2=CC=CC=C2SC(=O)C1
Structure:

CAS RN: 63869-99-8
CAS Name: 2-(1-ethyl-1-piperidin-1-iumyl)-N-[2-(1-ethyl-1-piperidin-1-iumyl)ethyl]-N-methylethanamine dibromide
OPENEYE Name: 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methyl-ethanamine dibromide
IUPAC Name: 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine dibromide
SYSTEMATIC NAME: 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methyl-ethanamine dibromide
MOLECULAR FORMULA: C19H41Br2N3
MOLECULAR WEIGHT: 471.35694
SMILES: CC[N+]1(CCCCC1)CCN(C)CC[N+]2(CCCCC2)CC.[Br-].[Br-]
Structure:

CAS RN: 63869-98-7
CAS Name: N-methyl-2-(4-methyl-4-morpholin-4-iumyl)-N-[2-(4-methyl-4-morpholin-4-iumyl)ethyl]ethanamine dibromide
OPENEYE Name: N-methyl-2-(4-methylmorpholin-4-ium-4-yl)-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]ethanamine dibromide
IUPAC Name: N-methyl-2-(4-methylmorpholin-4-ium-4-yl)-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]ethanamine dibromide
SYSTEMATIC NAME: N-methyl-2-(4-methylmorpholin-4-ium-4-yl)-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]ethanamine dibromide
MOLECULAR FORMULA: C15H33Br2N3O2
MOLECULAR WEIGHT: 447.24942
SMILES: CN(CC[N+]1(CCOCC1)C)CC[N+]2(CCOCC2)C.[Br-].[Br-]
Structure:

CAS RN: 63869-97-6
CAS Name: N-methyl-2-(1-methyl-1-pyrrolidin-1-iumyl)-N-[2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl]ethanamine dibromide
OPENEYE Name: N-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]ethanamine dibromide
IUPAC Name: N-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]ethanamine dibromide
SYSTEMATIC NAME: N-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]ethanamine dibromide
MOLECULAR FORMULA: C15H33Br2N3
MOLECULAR WEIGHT: 415.25062
SMILES: CN(CC[N+]1(CCCC1)C)CC[N+]2(CCCC2)C.[Br-].[Br-]
Structure:

CAS RN: 63869-96-5
CAS Name: 3-methyl-1,2,3,4-tetrahydropyrido[3,2-b]indole-5-carboxylic acid
OPENEYE Name: 3-methyl-1,2,3,4-tetrahydropyrido[3,2-b]indole-5-carboxylic acid
IUPAC Name: 3-methyl-1,2,3,4-tetrahydropyrido[3,2-b]indole-5-carboxylic acid
SYSTEMATIC NAME: 3-methyl-1,2,3,4-tetrahydropyrido[3,2-b]indole-5-carboxylic acid
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: CC1CC2=C(C3=CC=CC=C3N2C(=O)O)NC1
Structure:

CAS RN: 63869-94-3
CAS Name: 6-methyl-3-[(6-methyl-2,4-dioxo-3-oxanyl)methyl]oxane-2,4-dione
OPENEYE Name: 6-methyl-3-[(6-methyl-2,4-dioxo-tetrahydropyran-3-yl)methyl]tetrahydropyran-2,4-dione
IUPAC Name: 6-methyl-3-[(6-methyl-2,4-dioxooxan-3-yl)methyl]oxane-2,4-dione
SYSTEMATIC NAME: 6-methyl-3-[[6-methyl-2,4-bis(oxidanylidene)oxan-3-yl]methyl]oxane-2,4-dione
MOLECULAR FORMULA: C13H16O6
MOLECULAR WEIGHT: 268.26254
SMILES: CC1CC(=O)C(C(=O)O1)CC2C(=O)CC(OC2=O)C
Structure:

CAS RN: 63869-92-1
CAS Name: acetic acid [3-[[3-hydroxy-4-methoxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-yl] ester
OPENEYE Name: [3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-yl] acetate
IUPAC Name: [3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-yl] acetate
SYSTEMATIC NAME: [3-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-yl] ethanoate
MOLECULAR FORMULA: C38H58O14
MOLECULAR WEIGHT: 738.85872
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)OC(=O)C)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O
Structure:

CAS RN: 63869-91-0
CAS Name: 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate; hydron; thulium(3+)
OPENEYE Name: 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate; hydron; thulium(3+)
IUPAC Name: 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate; hydron; thulium(3+)
SYSTEMATIC NAME: 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; hydron; thulium(3+)
MOLECULAR FORMULA: C10H13N2O8Tm
MOLECULAR WEIGHT: 458.15303
SMILES: [H+].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Tm+3]
Structure:

CAS RN: 63869-89-6
CAS Name: 1-(2-hydroxyethyl)-3-[2-[[(2-hydroxyethylamino)-oxomethyl]amino]-3-methylphenyl]urea
OPENEYE Name: 1-(2-hydroxyethyl)-3-[2-(2-hydroxyethylcarbamoylamino)-3-methyl-phenyl]urea
IUPAC Name: 1-(2-hydroxyethyl)-3-[2-(2-hydroxyethylcarbamoylamino)-3-methylphenyl]urea
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-[2-(2-hydroxyethylcarbamoylamino)-3-methyl-phenyl]urea
MOLECULAR FORMULA: C13H20N4O4
MOLECULAR WEIGHT: 296.3223
SMILES: CC1=C(C(=CC=C1)NC(=O)NCCO)NC(=O)NCCO
Structure:

CAS RN: 63869-88-5
CAS Name: 1-(1-aziridinyl)-3-[2-[[(1-aziridinylamino)-oxomethyl]amino]-3-methylphenyl]urea
OPENEYE Name: 1-(aziridin-1-yl)-3-[2-(aziridin-1-ylcarbamoylamino)-3-methyl-phenyl]urea
IUPAC Name: 1-(aziridin-1-yl)-3-[2-(aziridin-1-ylcarbamoylamino)-3-methylphenyl]urea
SYSTEMATIC NAME: 1-(aziridin-1-yl)-3-[2-(aziridin-1-ylcarbamoylamino)-3-methyl-phenyl]urea
MOLECULAR FORMULA: C13H18N6O2
MOLECULAR WEIGHT: 290.32102
SMILES: CC1=C(C(=CC=C1)NC(=O)NN2CC2)NC(=O)NN3CC3
Structure:

CAS RN: 63869-86-3
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; thulium(3+)
OPENEYE Name: thulium(3+) citrate
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; thulium(3+)
SYSTEMATIC NAME: 2-oxidanylpropane-1,2,3-tricarboxylate; thulium(3+)
MOLECULAR FORMULA: C6H5O7Tm
MOLECULAR WEIGHT: 358.03391
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Tm+3]
Structure:

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