Chem
J-GLOBAL ID：201407053401995176   Nikkaji number：J3.225.464K

Ertugliflozin

エルツグリフロジン
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： C22H25ClO7
Molecular formula furigana： C22-H25-CL-O7
Molecular weight： 436.890
InChI： InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21+,22+/m0/s1
InChI key： MCIACXAZCBVDEE-VNXMGFANSA-N
SMILES： CCOc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Systematic name  (3)：
  • 5β-(ヒドロキシメチル)-1β-[3-(4-エトキシベンジル)-4-クロロフェニル]-7,8-ジオキサビシクロ[3.2.1]オクタン-2α,3β,4α-トリオール
  • (1R,2S,3S,4R,5R)-5-{4-クロロ-3-[(4-エトキシフェニル)メチル]フェニル}-1-(ヒドロキシメチル)-6,8-ジオキサビシクロ[3.2.1]オクタン-2,3,4-トリオール
  • (1R,2S,3S,4R,5R)-5-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Other name (3)：
  • 5β-(Hydroxymethyl)-1β-[3-(4-ethoxybenzyl)-4-chlorophenyl]-7,8-dioxabicyclo[3.2.1]octane-2α,3β,4α-triol
  • エルツグリフロジン
  • Ertugliflozin
Thsaurus map：
Thesaurus Map

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