CAS RN: 105815-87-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O[C@]16CC[C@H](CO6)CO
Structure:
CAS RN: 120346-84-1
CAS Name: 2-(2-oxolanyloxy)oxane
OPENEYE Name: 2-tetrahydrofuran-2-yloxytetrahydropyran
IUPAC Name: 2-(oxolan-2-yloxy)oxane
SYSTEMATIC NAME: 2-(oxolan-2-yloxy)oxane
MOLECULAR FORMULA: C9H16O3
MOLECULAR WEIGHT: 172.22154
SMILES: C1CCOC(C1)OC2CCCO2
Structure:
CAS RN: 105803-00-7
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]hexanoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C17H33N7O6
MOLECULAR WEIGHT: 431.48722
SMILES: C(CCN)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
Structure:
CAS RN: 120314-14-9
CAS Name: 2-(1-nitroso-3-indolyl)ethanol
OPENEYE Name: 2-(1-nitrosoindol-3-yl)ethanol
IUPAC Name: 2-(1-nitrosoindol-3-yl)ethanol
SYSTEMATIC NAME: 2-(1-nitrosoindol-3-yl)ethanol
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: C1=CC=C2C(=C1)C(=CN2N=O)CCO
Structure:
CAS RN: 120302-30-9
CAS Name: 2-(6-nitro-1H-indol-3-yl)ethanol
OPENEYE Name: 2-(6-nitro-1H-indol-3-yl)ethanol
IUPAC Name: 2-(6-nitro-1H-indol-3-yl)ethanol
SYSTEMATIC NAME: 2-(6-nitro-1H-indol-3-yl)ethanol
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NC=C2CCO
Structure:
CAS RN: 120301-02-2
CAS Name: acetic acid [(2S,3S,5S,10S,13S,17R)-17-acetyloxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethyl-1-piperazin-4-iumyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester dibromide
OPENEYE Name: [(2S,3S,5S,10S,13S,17R)-17-acetoxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
IUPAC Name: [(2S,3S,5S,10S,13S,17R)-17-acetyloxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
SYSTEMATIC NAME: [(2S,3S,5S,10S,13S,17R)-17-acetyloxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate dibromide
MOLECULAR FORMULA: C35H60Br2N4O4
MOLECULAR WEIGHT: 760.6833
SMILES: CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5(C3CC([C@@H]5OC(=O)C)N6CC[N+](C=C6)(C)C)C.[Br-].[Br-]
Structure:
CAS RN: 105802-53-7
CAS Name: (2S,8S,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (2S,8S,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (2S,8S,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (2S,8S,13S,14S,17S)-2,13-dimethyl-17-oxidanyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 286.40854
SMILES: C[C@H]1CC2=C3CC[C@]4([C@H]([C@@H]3CCC2=CC1=O)CC[C@@H]4O)C
Structure:
CAS RN: 105801-89-6
CAS Name: nitric acid [(8S,11S,13S,14S)-3,9-dihydroxy-13-methyl-17-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] ester
OPENEYE Name: [(8S,11S,13S,14S)-3,9-dihydroxy-13-methyl-17-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] nitrate
IUPAC Name: [(8S,11S,13S,14S)-3,9-dihydroxy-13-methyl-17-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] nitrate
SYSTEMATIC NAME: [(8S,11S,13S,14S)-13-methyl-3,9-bis(oxidanyl)-17-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] nitrate
MOLECULAR FORMULA: C18H21NO6
MOLECULAR WEIGHT: 347.36244
SMILES: C[C@]12C[C@@H](C3([C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O)O)O[N+](=O)[O-]
Structure:
CAS RN: 105798-74-1
CAS Name: (2R,3R,4S,5R)-2-[(6-amino-5-nitro-4-pyrimidinyl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C9H13N5O6
MOLECULAR WEIGHT: 287.22942
SMILES: C1=NC(=C(C(=N1)N[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[N+](=O)[O-])N
Structure:
CAS RN: 105785-61-3
CAS Name: 4-[N-hydroxy-3-(2-quinolinylmethoxy)anilino]-4-oxobutanoic acid methyl ester
OPENEYE Name: methyl 4-[N-hydroxy-3-(2-quinolylmethoxy)anilino]-4-oxo-butanoate
IUPAC Name: methyl 4-[N-hydroxy-3-(quinolin-2-ylmethoxy)anilino]-4-oxobutanoate
SYSTEMATIC NAME: methyl 4-oxidanylidene-4-[oxidanyl-[3-(quinolin-2-ylmethoxy)phenyl]amino]butanoate
MOLECULAR FORMULA: C21H20N2O5
MOLECULAR WEIGHT: 380.3939
SMILES: COC(=O)CCC(=O)N(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O
Structure:
CAS RN: 120294-09-9
CAS Name: 3-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]-1-methyl-2-oxo-4-imidazolidinecarboxylic acid
OPENEYE Name: 3-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
IUPAC Name: 3-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
SYSTEMATIC NAME: 1-methyl-2-oxidanylidene-3-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]imidazolidine-4-carboxylic acid
MOLECULAR FORMULA: C18H23N3O6
MOLECULAR WEIGHT: 377.39172
SMILES: CC(C(=O)N1C(CN(C1=O)C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 120294-03-3
CAS Name: decanoic acid 2,3-diacetyloxypropyl ester
OPENEYE Name: 2,3-diacetoxypropyl decanoate
IUPAC Name: 2,3-diacetyloxypropyl decanoate
SYSTEMATIC NAME: 2,3-diacetyloxypropyl decanoate
MOLECULAR FORMULA: C17H30O6
MOLECULAR WEIGHT: 330.4165
SMILES: CCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C
Structure:
CAS RN: 105746-24-5
CAS Name: (2R)-2-[[(4-ethylphenyl)-oxomethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2R)-2-[(4-ethylbenzoyl)amino]-3-phenyl-propanoic acid
IUPAC Name: (2R)-2-[(4-ethylbenzoyl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2R)-2-[(4-ethylphenyl)carbonylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CCC1=CC=C(C=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 105740-40-7
CAS Name: 3-[(2R)-1-hydroxy-1-methyl-2-pyrrolidin-1-iumyl]-1-methylpyridin-1-ium
OPENEYE Name: 3-[(2R)-1-hydroxy-1-methyl-pyrrolidin-1-ium-2-yl]-1-methyl-pyridin-1-ium
IUPAC Name: 3-[(2R)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]-1-methylpyridin-1-ium
SYSTEMATIC NAME: 1-methyl-3-[(2R)-1-methyl-1-oxidanyl-pyrrolidin-1-ium-2-yl]pyridin-1-ium
MOLECULAR FORMULA: C11H18N2O+2
MOLECULAR WEIGHT: 194.27342
SMILES: C[N+]1=CC=CC(=C1)[C@H]2CCC[N+]2(C)O
Structure:
CAS RN: 120287-14-1
CAS Name: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-hydroxypropyl hydrogen phosphate
OPENEYE Name: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-hydroxypropyl hydrogen phosphate
IUPAC Name: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-hydroxypropyl hydrogen phosphate
SYSTEMATIC NAME: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-oxidanylpropyl hydrogen phosphate
MOLECULAR FORMULA: C46H95O7P
MOLECULAR WEIGHT: 791.216061
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCCO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Structure:
CAS RN: 105740-30-5
CAS Name: 5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile hydrochloride
OPENEYE Name: 5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile hydrochloride
IUPAC Name: 5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile hydrochloride
SYSTEMATIC NAME: 5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile hydrochloride
MOLECULAR FORMULA: C28H39ClN2O4
MOLECULAR WEIGHT: 503.07326
SMILES: CC(C)C(CCCC1CC2=CC(=C(C=C2CN1C)OC)OC)(C#N)C3=CC(=C(C=C3)OC)OC.Cl
Structure:
CAS RN: 120287-12-9
CAS Name: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-phosphonooxypropyl hydrogen phosphate
OPENEYE Name: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-phosphonooxypropyl hydrogen phosphate
IUPAC Name: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-phosphonooxypropyl hydrogen phosphate
SYSTEMATIC NAME: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-phosphonooxypropyl hydrogen phosphate
MOLECULAR FORMULA: C46H96O10P2
MOLECULAR WEIGHT: 871.195962
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCCOP(=O)(O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Structure:
CAS RN: 120287-10-7
CAS Name: [5,5,5-trichloro-1,3-dihydroxy-3-(2,2,2-trichloroethyl)pentan-2-yl]phosphonic acid
OPENEYE Name: [4,4,4-trichloro-2-hydroxy-1-(hydroxymethyl)-2-(2,2,2-trichloroethyl)butyl]phosphonic acid
IUPAC Name: [5,5,5-trichloro-1,3-dihydroxy-3-(2,2,2-trichloroethyl)pentan-2-yl]phosphonic acid
SYSTEMATIC NAME: [5,5,5-tris(chloranyl)-1,3-bis(oxidanyl)-3-[2,2,2-tris(chloranyl)ethyl]pentan-2-yl]phosphonic acid
MOLECULAR FORMULA: C7H11Cl6O5P
MOLECULAR WEIGHT: 418.851001
SMILES: C(C(C(CC(Cl)(Cl)Cl)(CC(Cl)(Cl)Cl)O)P(=O)(O)O)O
Structure:
CAS RN: 105736-52-5
CAS Name: 3-[[(3-amino-3-oxo-1-phenylpropyl)-oxogermyl]oxy-oxogermyl]-3-phenylpropanamide
OPENEYE Name: 3-[[(3-amino-3-oxo-1-phenyl-propyl)-oxo-germyl]oxy-oxo-germyl]-3-phenyl-propanamide
IUPAC Name: 3-[[(3-amino-3-oxo-1-phenylpropyl)-oxogermyl]oxy-oxogermyl]-3-phenylpropanamide
SYSTEMATIC NAME: 3-[[(3-azanyl-3-oxidanylidene-1-phenyl-propyl)-oxidanylidene-germyl]oxy-oxidanylidene-germyl]-3-phenyl-propanamide
MOLECULAR FORMULA: C18H20Ge2N2O5
MOLECULAR WEIGHT: 489.6418
SMILES: C1=CC=C(C=C1)C(CC(=O)N)[Ge](=O)O[Ge](=O)C(CC(=O)N)C2=CC=CC=C2
Structure:
CAS RN: 120273-58-7
CAS Name: 2-(3-pyridinylmethyl)-1H-indazol-3-one
OPENEYE Name: 2-(3-pyridylmethyl)-1H-indazol-3-one
IUPAC Name: 2-(pyridin-3-ylmethyl)-1H-indazol-3-one
SYSTEMATIC NAME: 2-(pyridin-3-ylmethyl)-1H-indazol-3-one
MOLECULAR FORMULA: C13H11N3O
MOLECULAR WEIGHT: 225.24594
SMILES: C1=CC=C2C(=C1)C(=O)N(N2)CC3=CN=CC=C3
Structure:
CAS RN: 105701-67-5
CAS Name: 3-oxo-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-6-carboxylic acid
OPENEYE Name: 3-oxo-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-6-carboxylic acid
IUPAC Name: 3-oxo-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
SYSTEMATIC NAME: 3-oxidanylidene-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: C1C(NCC2=C1ONC2=O)C(=O)O
Structure:
CAS RN: 120246-71-1
CAS Name: [2-(9,10-dibromo-1-oxooctadecoxy)-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-(9,10-dibromooctadecanoyloxy)-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [2-(9,10-dibromooctadecanoyloxy)-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [2-[9,10-bis(bromanyl)octadecanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H86Br2NO8P
MOLECULAR WEIGHT: 947.937301
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br
Structure:
CAS RN: 105701-66-4
CAS Name: 3-oxo-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-4-carboxylic acid
OPENEYE Name: 3-oxo-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-4-carboxylic acid
IUPAC Name: 3-oxo-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-4-carboxylic acid
SYSTEMATIC NAME: 3-oxidanylidene-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-4-carboxylic acid
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: C1CNC(C2=C1ONC2=O)C(=O)O
Structure:
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