Chem
J-GLOBAL ID：200907080284684579   Nikkaji number：J2.723.288D

FXR-450

ツロフェキソラートイソプロピル
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： C25H24F2N2O3
Molecular formula furigana： C25-H24-F2-N2-O3
Molecular weight： 438.475
InChI： InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3
InChI key： INASOKQDNHHMRE-UHFFFAOYSA-N
SMILES： CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1
Systematic name  (3)：
  • 3-(3,4-ジフルオロベンゾイル)-1,2,3,6-テトラヒドロ-1,1-ジメチルアゼピノ[4,5-b]インドール-5-カルボン酸イソプロピル
  • プロパン-2-イル 3-(3,4-ジフルオロベンゾイル)-1,1-ジメチル-1H,2H,3H,6H-アゼピノ[4,5-b]インドール-5-カルボキシラート
  • propan-2-yl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1H,2H,3H,6H-azepino[4,5-b]indole-5-carboxylate
Other name (5)：
  • 3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid isopropyl ester
  • WAY-362450
  • Turofexorate isopropyl
  • ツロフェキソラートイソプロピル
  • FXR-450
CAS registry number： 629664-81-9
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