Chem
J-GLOBAL ID：201107062810228257   Nikkaji number：J2.923.745J

Dapagliflozin

ダパグリフロジン
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： C21H25ClO6
Molecular formula furigana： C21-H25-CL-O6
Molecular weight： 408.880
InChI： InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21?/m1/s1
InChI key： JVHXJTBJCFBINQ-AWGDKMGJSA-N
SMILES： CCOc1ccc(Cc2cc(ccc2Cl)C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Systematic name  (3)：
  • 1,5-アンヒドロ-1-C-[4-クロロ-3-(4-エトキシベンジル)フェニル]-D-グルシトール
  • (3R,4R,5S,6R)-2-{4-クロロ-3-[(4-エトキシフェニル)メチル]フェニル}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • 1,5-Anhydro-1-C-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol
  • ダパグリフロジン
  • Dapagliflozin
CAS registry number： 461432-26-8
Regulation number (1)：
  • 8-(4)-2219
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