Chem
J-GLOBAL ID：200907071389759982   Nikkaji number：J358.848C

Levocabastine

レボカバスチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H29FN2O2
Molecular formula furigana： C26-H29-F-N2-O2
Molecular weight： 420.528
InChI： InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1
InChI key： ZCGOMHNNNFPNMX-KYTRFIICSA-N
SMILES： C[C@@H]1CN(CC[C@]1(C(=O)O)c1ccccc1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1
Systematic name  (4)：
  • (3S)-1-[4α-シアノ-4-(4-フルオロフェニル)シクロヘキサン-1α-イル]-3β-メチル-4-フェニルピペリジン-4α-カルボン酸
  • (3S)-1-[4α-シアノ-4β-(4-フルオロフェニル)シクロヘキサン-1α-イル]-3β-メチル-4β-フェニル-4α-ピペリジンカルボン酸
  • (3S,4R)-3-メチル-4-フェニル-1-[(1s,4s)-4-シアノ-4-(4-フルオロフェニル)シクロヘキシル]ピペリジン-4-カルボン酸
  • (3S,4R)-3-methyl-4-phenyl-1-[(1s,4s)-4-cyano-4-(4-fluorophenyl)cyclohexyl]piperidine-4-carboxylic acid
Other name (5)：
  • レボカバスチン
  • R-50547
  • Levocabastine
  • (3S)-1-[4α-Cyano-4β-(4-fluorophenyl)cyclohexan-1α-yl]-3β-methyl-4β-phenyl-4α-piperidinecarboxylic acid
  • (3S)-1-[4α-Cyano-4-(4-fluorophenyl)cyclohexan-1α-yl]-3β-methyl-4-phenylpiperidine-4α-carboxylic acid
CAS registry number： 79516-68-0
KEGG DRUG： D08117
Application (3)：
histamineH1-receptorblocker ,  ophthalmic remedy ,  otological drug
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