Chem
J-GLOBAL ID:200907042370813668
Nikkaji number:J1.370.779K
(S)-Cetirizine
(S)-セチリジン
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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:
C21 H25 ClN2 O3
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):
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
2-[2-[4-[(S)-α-(4-Chlorophenyl)benzyl]piperazine-1-yl]ethoxy]acetic acid
デキストロセチリジン
Dextrocetilizine
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