CAS RN: 104961-68-4
CAS Name: 2,2-dimethyl-N'-[4-phenoxy-2,6-di(propan-2-yl)phenyl]propanimidamide
OPENEYE Name: N'-(2,6-diisopropyl-4-phenoxy-phenyl)-2,2-dimethyl-propanamidine
IUPAC Name: 2,2-dimethyl-N'-[4-phenoxy-2,6-di(propan-2-yl)phenyl]propanimidamide
SYSTEMATIC NAME: 2,2-dimethyl-N'-[4-phenoxy-2,6-di(propan-2-yl)phenyl]propanimidamide
MOLECULAR FORMULA: C23H32N2O
MOLECULAR WEIGHT: 352.51298
SMILES: CC(C)C1=CC(=CC(=C1N=C(C(C)(C)C)N)C(C)C)OC2=CC=CC=C2
Structure:
CAS RN: 104960-26-1
CAS Name: 4-benzoylbenzoic acid [(2R,3S,4R,5S)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,4R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-benzoylbenzoate
IUPAC Name: [(2R,3S,4R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C23H24N3O16P3
MOLECULAR WEIGHT: 691.368443
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@@H]([C@@H]3O)N4C=CC(=NC4=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 104939-15-3
CAS Name: 2-amino-1-(2-hydroxy-3-methoxypropyl)-4,5-dihydroimidazole-4,5-diol
OPENEYE Name: 2-amino-1-(2-hydroxy-3-methoxy-propyl)-4,5-dihydroimidazole-4,5-diol
IUPAC Name: 2-amino-1-(2-hydroxy-3-methoxypropyl)-4,5-dihydroimidazole-4,5-diol
SYSTEMATIC NAME: 2-azanyl-1-(3-methoxy-2-oxidanyl-propyl)-4,5-dihydroimidazole-4,5-diol
MOLECULAR FORMULA: C7H15N3O4
MOLECULAR WEIGHT: 205.2117
SMILES: COCC(CN1C(C(N=C1N)O)O)O
Structure:
CAS RN: 104932-60-7
CAS Name: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxy-2-oxanyl]methoxy]propanoic acid
OPENEYE Name: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxy-tetrahydropyran-2-yl]methoxy]propanoic acid
IUPAC Name: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]propanoic acid
SYSTEMATIC NAME: 3-oxidanylidene-3-[[(2R,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-phenoxy-oxan-2-yl]methoxy]propanoic acid
MOLECULAR FORMULA: C15H18O9
MOLECULAR WEIGHT: 342.29802
SMILES: C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CC(=O)O)O)O)O
Structure:
CAS RN: 104928-58-7
CAS Name: 2-[(2S,6S)-6-hydroxy-4,4,6-trimethyl-2-morpholin-4-iumyl]acetic acid chloride
OPENEYE Name: 2-[(2S,6S)-6-hydroxy-4,4,6-trimethyl-morpholin-4-ium-2-yl]acetic acid chloride
IUPAC Name: 2-[(2S,6S)-6-hydroxy-4,4,6-trimethylmorpholin-4-ium-2-yl]acetic acid chloride
SYSTEMATIC NAME: 2-[(2S,6S)-4,4,6-trimethyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoic acid chloride
MOLECULAR FORMULA: C9H18ClNO4
MOLECULAR WEIGHT: 239.69652
SMILES: C[C@]1(C[N+](C[C@@H](O1)CC(=O)O)(C)C)O.[Cl-]
Structure:
CAS RN: 104884-91-5
CAS Name: acetic acid [(2S,3S,5S,10S,13R,16S)-10,13-dimethyl-2-(1-piperidinyl)-16-(1-prop-2-enyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester bromide
OPENEYE Name: [(2S,3S,5S,10S,13R,16S)-16-(1-allylpiperidin-1-ium-1-yl)-10,13-dimethyl-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
IUPAC Name: [(2S,3S,5S,10S,13R,16S)-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
SYSTEMATIC NAME: [(2S,3S,5S,10S,13R,16S)-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate bromide
MOLECULAR FORMULA: C34H57BrN2O2
MOLECULAR WEIGHT: 605.73258
SMILES: CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5(C3C[C@@H](C5)[N+]6(CCCCC6)CC=C)C.[Br-]
Structure:
CAS RN: 104883-69-4
CAS Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-undecylhexanamide
OPENEYE Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-undecyl-hexanamide
IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-undecylhexanamide
SYSTEMATIC NAME: (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)-N-undecyl-hexanamide
MOLECULAR FORMULA: C17H35NO6
MOLECULAR WEIGHT: 349.4629
SMILES: CCCCCCCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 104881-77-8
CAS Name: 3-(10-iodo-1-oxooctadecoxy)-4-(trimethylammonio)butanoate
OPENEYE Name: 3-(10-iodooctadecanoyloxy)-4-(trimethylammonio)butanoate
IUPAC Name: 3-(10-iodooctadecanoyloxy)-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: 3-(10-iodanyloctadecanoyloxy)-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C25H48INO4
MOLECULAR WEIGHT: 553.55739
SMILES: CCCCCCCCC(CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)I
Structure:
CAS RN: 104880-94-6
CAS Name: 3-(3-iodanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-1-propanamine
OPENEYE Name: 3-(3-iodanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine
IUPAC Name: 3-(3-iodanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
SYSTEMATIC NAME: 3-(3-iodanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine
MOLECULAR FORMULA: C18H21IN2
MOLECULAR WEIGHT: 396.278864
SMILES: CNCCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)[131I]
Structure:
CAS RN: 104880-60-6
CAS Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-4-hydroxybutyl]phosphonic acid
OPENEYE Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-4-hydroxy-butyl]phosphonic acid
IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-4-hydroxybutyl]phosphonic acid
SYSTEMATIC NAME: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-4-oxidanyl-butyl]phosphonic acid
MOLECULAR FORMULA: C10H16N5O6P
MOLECULAR WEIGHT: 333.237701
SMILES: C1=NC2=C(N1COC(CCP(=O)(O)O)CO)NC(=NC2=O)N
Structure:
CAS RN: 104872-46-0
CAS Name: 2,3-dihexadecoxypropyl(trimethyl)ammonium chloride
OPENEYE Name: 2,3-dihexadecoxypropyl(trimethyl)ammonium chloride
IUPAC Name: 2,3-dihexadecoxypropyl(trimethyl)azanium chloride
SYSTEMATIC NAME: 2,3-dihexadecoxypropyl(trimethyl)azanium chloride
MOLECULAR FORMULA: C38H80ClNO2
MOLECULAR WEIGHT: 618.5003
SMILES: CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCCCCCCCCC.[Cl-]
Structure:
CAS RN: 104860-61-9
CAS Name: 4-amino-N-[(3S,4R)-1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxy-4-piperidinyl]-5-chloro-2-methoxybenzamide hydrochloride
OPENEYE Name: 4-amino-N-[(3S,4R)-1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxy-4-piperidyl]-5-chloro-2-methoxy-benzamide hydrochloride
IUPAC Name: 4-amino-N-[(3S,4R)-1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-yl]-5-chloro-2-methoxybenzamide hydrochloride
SYSTEMATIC NAME: 4-azanyl-N-[(3S,4R)-1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxy-piperidin-4-yl]-5-chloranyl-2-methoxy-benzamide hydrochloride
MOLECULAR FORMULA: C30H35Cl2F2N3O3
MOLECULAR WEIGHT: 594.520006
SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl
Structure:
CAS RN: 104855-17-6
CAS Name: (2S,3S,5S,10S,13R,16S)-10,13-dimethyl-2-(1-piperidinyl)-16-(1-prop-2-enyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol bromide
OPENEYE Name: (2S,3S,5S,10S,13R,16S)-16-(1-allylpiperidin-1-ium-1-yl)-10,13-dimethyl-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol bromide
IUPAC Name: (2S,3S,5S,10S,13R,16S)-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol bromide
SYSTEMATIC NAME: (2S,3S,5S,10S,13R,16S)-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol bromide
MOLECULAR FORMULA: C32H55BrN2O
MOLECULAR WEIGHT: 563.6959
SMILES: C[C@]12CCC3C(C1C[C@@H](C2)[N+]4(CCCCC4)CC=C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCCCC6)C.[Br-]
Structure:
CAS RN: 104855-15-4
CAS Name: 3-(9-iodo-1-oxooctadecoxy)-4-(trimethylammonio)butanoate
OPENEYE Name: 3-(9-iodooctadecanoyloxy)-4-(trimethylammonio)butanoate
IUPAC Name: 3-(9-iodooctadecanoyloxy)-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: 3-(9-iodanyloctadecanoyloxy)-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C25H48INO4
MOLECULAR WEIGHT: 553.55739
SMILES: CCCCCCCCCC(CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)I
Structure:
CAS RN: 104855-14-3
CAS Name: 10-iodooctadecanoic acid
OPENEYE Name: 10-iodooctadecanoic acid
IUPAC Name: 10-iodooctadecanoic acid
SYSTEMATIC NAME: 10-iodanyloctadecanoic acid
MOLECULAR FORMULA: C18H35IO2
MOLECULAR WEIGHT: 410.37377
SMILES: CCCCCCCCC(CCCCCCCCC(=O)O)I
Structure:
CAS RN: 104855-13-2
CAS Name: 9-iodooctadecanoic acid
OPENEYE Name: 9-iodooctadecanoic acid
IUPAC Name: 9-iodooctadecanoic acid
SYSTEMATIC NAME: 9-iodanyloctadecanoic acid
MOLECULAR FORMULA: C18H35IO2
MOLECULAR WEIGHT: 410.37377
SMILES: CCCCCCCCCC(CCCCCCCC(=O)O)I
Structure:
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