CAS RN: 17224-49-6
CAS Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl]-trimethylammonium hydroxide
OPENEYE Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-3-acetoxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl]-trimethyl-ammonium hydroxide
IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl]-trimethylazanium hydroxide
SYSTEMATIC NAME: [(2S,3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl]-trimethyl-azanium hydroxide
MOLECULAR FORMULA: C24H41NO4
MOLECULAR WEIGHT: 407.58664
SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(C[C@@H]1[N+](C)(C)C)C)C.[OH-]
Structure:
CAS RN: 17224-48-5
CAS Name: acetic acid [(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methyl-1-piperidin-1-iumyl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] ester bromide
OPENEYE Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate bromide
IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate bromide
SYSTEMATIC NAME: [(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] ethanoate bromide
MOLECULAR FORMULA: C27H44BrNO3
MOLECULAR WEIGHT: 510.54716
SMILES: CC(=O)O[C@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C[C@@H]1[N+]5(CCCCC5)C)C.[Br-]
Structure:
CAS RN: 17224-47-4
CAS Name: acetic acid [(2S,3S,5S,8R,9S,10S,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-(1-methyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester bromide
OPENEYE Name: [(2S,3S,5S,8R,9S,10S,13S,14S,17S)-2-acetoxy-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide
IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide
SYSTEMATIC NAME: [(2S,3S,5S,8R,9S,10S,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate bromide
MOLECULAR FORMULA: C29H48BrNO4
MOLECULAR WEIGHT: 554.59972
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)[N+]5(CCCCC5)C)OC(=O)C)C)C.[Br-]
Structure:
CAS RN: 17221-53-3
CAS Name: 2-hydroxy-2,2-diphenylacetic acid [2-[(dimethylamino)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester hydrochloride
OPENEYE Name: [3-[(dimethylamino)methyl]-1,7,7-trimethyl-norbornan-2-yl] 2-hydroxy-2,2-diphenyl-acetate hydrochloride
IUPAC Name: [2-[(dimethylamino)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: [2-[(dimethylamino)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-oxidanyl-2,2-diphenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C27H36ClNO3
MOLECULAR WEIGHT: 458.03264
SMILES: CC1(C2CCC1(C(C2CN(C)C)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C)C.Cl
Structure:
CAS RN: 17215-23-5
CAS Name: 5-bromo-2,3-dimethyl-3-pent-1-en-4-ynol
OPENEYE Name: 5-bromo-2,3-dimethyl-pent-1-en-4-yn-3-ol
IUPAC Name: 5-bromo-2,3-dimethylpent-1-en-4-yn-3-ol
SYSTEMATIC NAME: 5-bromanyl-2,3-dimethyl-pent-1-en-4-yn-3-ol
MOLECULAR FORMULA: C7H9BrO
MOLECULAR WEIGHT: 189.04976
SMILES: CC(=C)C(C)(C#CBr)O
Structure:
CAS RN: 17210-81-0
CAS Name: 2-(2-hydroxy-1-oxopropoxy)ethyl-trimethylammonium iodide
OPENEYE Name: 2-(2-hydroxypropanoyloxy)ethyl-trimethyl-ammonium iodide
IUPAC Name: 2-(2-hydroxypropanoyloxy)ethyl-trimethylazanium iodide
SYSTEMATIC NAME: trimethyl-[2-(2-oxidanylpropanoyloxy)ethyl]azanium iodide
MOLECULAR FORMULA: C8H18INO3
MOLECULAR WEIGHT: 303.13789
SMILES: CC(C(=O)OCC[N+](C)(C)C)O.[I-]
Structure:
CAS RN: 17199-19-8
CAS Name: (1-hydroxy-2-methylpropan-2-yl)-trimethylammonium iodide
OPENEYE Name: (2-hydroxy-1,1-dimethyl-ethyl)-trimethyl-ammonium iodide
IUPAC Name: (1-hydroxy-2-methylpropan-2-yl)-trimethylazanium iodide
SYSTEMATIC NAME: trimethyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium iodide
MOLECULAR FORMULA: C7H18INO
MOLECULAR WEIGHT: 259.12839
SMILES: CC(C)(CO)[N+](C)(C)C.[I-]
Structure:
CAS RN: 17196-87-1
CAS Name: phosphoric acid 2,2-dichloroethenyl hexyl methyl ester
OPENEYE Name: 2,2-dichlorovinyl hexyl methyl phosphate
IUPAC Name: 2,2-dichloroethenyl hexyl methyl phosphate
SYSTEMATIC NAME: 2,2-bis(chloranyl)ethenyl hexyl methyl phosphate
MOLECULAR FORMULA: C9H17Cl2O4P
MOLECULAR WEIGHT: 291.108641
SMILES: CCCCCCOP(=O)(OC)OC=C(Cl)Cl
Structure:
CAS RN: 17193-92-9
CAS Name: 3-(phenylmethyl)-1-[2-[3-[2-[3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-1-yl]ethoxy]phenoxy]ethyl]-1-azoniabicyclo[2.2.2]octane dibromide
OPENEYE Name: 3-benzyl-1-[2-[3-[2-(3-benzylquinuclidin-1-ium-1-yl)ethoxy]phenoxy]ethyl]quinuclidin-1-ium dibromide
IUPAC Name: 3-benzyl-1-[2-[3-[2-(3-benzyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]phenoxy]ethyl]-1-azoniabicyclo[2.2.2]octane dibromide
SYSTEMATIC NAME: 3-(phenylmethyl)-1-[2-[3-[2-[3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-1-yl]ethoxy]phenoxy]ethyl]-1-azoniabicyclo[2.2.2]octane dibromide
MOLECULAR FORMULA: C38H50Br2N2O2
MOLECULAR WEIGHT: 726.6238
SMILES: C1C[N+]2(CCC1C(C2)CC3=CC=CC=C3)CCOC4=CC(=CC=C4)OCC[N+]56CCC(CC5)C(C6)CC7=CC=CC=C7.[Br-].[Br-]
Structure:
CAS RN: 17191-65-0
CAS Name: 3-[bis(2-chloroethyl)amino]-5-methylbenzoic acid
OPENEYE Name: 3-[bis(2-chloroethyl)amino]-5-methyl-benzoic acid
IUPAC Name: 3-[bis(2-chloroethyl)amino]-5-methylbenzoic acid
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino]-5-methyl-benzoic acid
MOLECULAR FORMULA: C12H15Cl2NO2
MOLECULAR WEIGHT: 276.159
SMILES: CC1=CC(=CC(=C1)C(=O)O)N(CCCl)CCCl
Structure:
CAS RN: 17191-58-1
CAS Name: 3-[1-[2-(4-aminophenyl)ethyl]-3-propyl-3-azetidinyl]phenol
OPENEYE Name: 3-[1-[2-(4-aminophenyl)ethyl]-3-propyl-azetidin-3-yl]phenol
IUPAC Name: 3-[1-[2-(4-aminophenyl)ethyl]-3-propylazetidin-3-yl]phenol
SYSTEMATIC NAME: 3-[1-[2-(4-aminophenyl)ethyl]-3-propyl-azetidin-3-yl]phenol
MOLECULAR FORMULA: C20H26N2O
MOLECULAR WEIGHT: 310.43324
SMILES: CCCC1(CN(C1)CCC2=CC=C(C=C2)N)C3=CC(=CC=C3)O
Structure:
CAS RN: 17186-95-7
CAS Name: 3,7-dimethylpurine-2,6-dione hydroiodide
OPENEYE Name: 3,7-dimethylpurine-2,6-dione hydroiodide
IUPAC Name: 3,7-dimethylpurine-2,6-dione hydroiodide
SYSTEMATIC NAME: 3,7-dimethylpurine-2,6-dione hydroiodide
MOLECULAR FORMULA: C7H9IN4O2
MOLECULAR WEIGHT: 308.07643
SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C.I
Structure:
CAS RN: 17185-28-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H42N2O4S
MOLECULAR WEIGHT: 514.71978
SMILES: CCN(CC)CCOCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.C1CCC(CC1)NS(=O)(=O)O
Structure:
CAS RN: 17185-24-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28ClNO
MOLECULAR WEIGHT: 369.92752
SMILES: CC1=CC2=C(C=C1)C3CCC2(C4=CC=CC=C34)OCCN5CCCC5.Cl
Structure:
CAS RN: 17185-17-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H29NO5S
MOLECULAR WEIGHT: 431.54506
SMILES: CS(=O)(=O)O.C1CC[N+](C1)(CCOC23CCC(C4=CC=CC=C42)C5=CC=CC=C35)[O-]
Structure:
CAS RN: 17184-86-0
CAS Name: 3-(3-butyl-1-methyl-3-azetidinyl)phenol
OPENEYE Name: 3-(3-butyl-1-methyl-azetidin-3-yl)phenol
IUPAC Name: 3-(3-butyl-1-methylazetidin-3-yl)phenol
SYSTEMATIC NAME: 3-(3-butyl-1-methyl-azetidin-3-yl)phenol
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CCCCC1(CN(C1)C)C2=CC(=CC=C2)O
Structure:
CAS RN: 17184-85-9
CAS Name: acetic acid [3-(1-methyl-3-propyl-3-azetidinyl)phenyl] ester
OPENEYE Name: [3-(1-methyl-3-propyl-azetidin-3-yl)phenyl] acetate
IUPAC Name: [3-(1-methyl-3-propylazetidin-3-yl)phenyl] acetate
SYSTEMATIC NAME: [3-(1-methyl-3-propyl-azetidin-3-yl)phenyl] ethanoate
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCCC1(CN(C1)C)C2=CC(=CC=C2)OC(=O)C
Structure:
CAS RN: 17184-84-8
CAS Name: 3-[1-(2-phenylethyl)-3-propyl-3-azetidinyl]phenol
OPENEYE Name: 3-[1-(2-phenylethyl)-3-propyl-azetidin-3-yl]phenol
IUPAC Name: 3-[1-(2-phenylethyl)-3-propylazetidin-3-yl]phenol
SYSTEMATIC NAME: 3-[1-(2-phenylethyl)-3-propyl-azetidin-3-yl]phenol
MOLECULAR FORMULA: C20H25NO
MOLECULAR WEIGHT: 295.4186
SMILES: CCCC1(CN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)O
Structure:
CAS RN: 17184-83-7
CAS Name: 3-(1-methyl-3-propyl-3-azetidinyl)phenol
OPENEYE Name: 3-(1-methyl-3-propyl-azetidin-3-yl)phenol
IUPAC Name: 3-(1-methyl-3-propylazetidin-3-yl)phenol
SYSTEMATIC NAME: 3-(1-methyl-3-propyl-azetidin-3-yl)phenol
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: CCCC1(CN(C1)C)C2=CC(=CC=C2)O
Structure:
CAS RN: 17183-41-4
CAS Name: 4-chloro-N-[4-hydroxy-3-(1-piperidinylmethyl)phenyl]benzamide
OPENEYE Name: 4-chloro-N-[4-hydroxy-3-(1-piperidylmethyl)phenyl]benzamide
IUPAC Name: 4-chloro-N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[4-oxidanyl-3-(piperidin-1-ylmethyl)phenyl]benzamide
MOLECULAR FORMULA: C19H21ClN2O2
MOLECULAR WEIGHT: 344.83524
SMILES: C1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)O
Structure:
CAS RN: 17183-40-3
CAS Name: 4-chloro-N-[4-hydroxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl]benzamide
OPENEYE Name: 4-chloro-N-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
IUPAC Name: 4-chloro-N-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]benzamide
MOLECULAR FORMULA: C19H22ClN3O2
MOLECULAR WEIGHT: 359.84988
SMILES: CN1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)O
Structure:
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