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Substance Name: Fasiglifam hemihydrate
RN: 1374598-80-7
UNII: 8LDT91CH8A
InChIKey: OJXYMYYDAVXPIK-IWKNALKQSA-N

Note

  • Free fatty acid receptor 1/GPR40 agonist.

Molecular Formula

  • C29-H32-O7-S.1/2H2-O

Molecular Weight

  • 1067.2764
 
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Names and Synonyms

Name of Substance

  • Fasiglifam hemihydrate

Synonyms

  • (3S)-6-((2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy) biphenyl-3-yl)methoxy)-2,3-dihydro-l-benzofuran-3-yl)acetic acid hemihydrate
  • (3S)-6-((2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy) biphenyl-3-yl)methoxy)-2,3-dihydro-l-benzofuran-3-yl)acetic acid hydrate
  • 3-Benzofuranacetic acid, 6-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)(1,1'-biphenyl)-3-yl)methoxy)-2,3-dihydro-, hydrate (2:1), (3S)-
  • TAK-875
  • UNII-8LDT91CH8A

Registry Numbers

CAS Registry Number

  • 1374598-80-7

FDA UNII

  • 8LDT91CH8A

System Generated Number

  • 1374598807

Structure Descriptors

InChI

1S/2C29H32O7S.H2O/c2*1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24;/h2*4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31);1H2/t2*23-;/m11./s1

InChIKey

OJXYMYYDAVXPIK-IWKNALKQSA-N

Smiles

Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C.Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C.O