Chem
J-GLOBAL ID:200907042370813668   Nikkaji number:J1.370.779K

(S)-Cetirizine

(S)-セチリジン
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: C21H25ClN2O3
Molecular formula furigana: C21-H25-CL-N2-O3
Molecular weight: 388.890
InChI: InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1
InChI key: ZKLPARSLTMPFCP-NRFANRHFSA-N
SMILES: OC(=O)COCCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1
Systematic name  (6):
  • 2-[2-[4-[(αS)-α-(4-クロロフェニル)ベンジル]ピペラジノ]エトキシ]酢酸
  • 2-[2-[4-[(S)-α-(4-クロロフェニル)ベンジル]ピペラジノ]エトキシ]酢酸
  • 2-[4-[(S)-4-クロロベンズヒドリル]ピペラジノ]エトキシ酢酸
  • 2-[2-[4-[(S)-α-(4-クロロフェニル)ベンジル]ピペラジン-1-イル]エトキシ]酢酸
  • 2-(2-{4-[(S)-(4-クロロフェニル)(フェニル)メチル]ピペラジン-1-イル}エトキシ)酢酸
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Other name (8):
  • 2-[2-[4-[(αS)-α-(4-Chlorophenyl)benzyl]piperazino]ethoxy]acetic acid
  • 2-[2-[4-[(S)-α-(4-Chlorophenyl)benzyl]piperazino]ethoxy]acetic acid
  • (S)-セチリジン
  • (S)-Cetirizine
  • 2-[4-[(S)-4-Chlorobenzhydryl]piperazino]ethoxyacetic acid
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