U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H32O7S
Molecular Weight 524.625
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FASIGLIFAM

SMILES

CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C2=CC(COC3=CC=C4[C@H](CC(O)=O)COC4=C3)=CC=C2

InChI

InChIKey=BZCALJIHZVNMGJ-HSZRJFAPSA-N
InChI=1S/C29H32O7S/c1-19-12-25(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/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H32O7S
Molecular Weight 524.625
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:59:57 UTC 2023
Edited
by admin
on Sat Dec 16 01:59:57 UTC 2023
Record UNII
GLP1W4JXAH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FASIGLIFAM
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
FASIGLIFAM [USAN]
Common Name English
((3S)-6-(((2',6'-DIMETHYL-4'-(3-(METHANESULFONYL)PROPOXY)-(1,1'-BIPHENYL)-3-YL))METHOXY)-2,3-DIHYDRO-1-BENZOFURAN-3-YL)ACETIC ACID
Systematic Name English
Fasiglifam [WHO-DD]
Common Name English
TAK-875 ANHYDROUS
Common Name English
3-BENZOFURANACETIC ACID, 6-((2',6'-DIMETHYL-4'-(3-(METHYLSULFONYL)PROPOXY)(1,1'-BIPHENYL)-3-YL)METHOXY)-2,3-DIHYDRO-, (3S)-
Common Name English
fasiglifam [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29711
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
Code System Code Type Description
PUBCHEM
24857286
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
SMS_ID
100000175100
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
NCI_THESAURUS
C132780
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
FDA UNII
GLP1W4JXAH
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
USAN
ZZ-123
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
INN
9651
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
ChEMBL
CHEMBL1829174
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
DRUG BANK
DB12491
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
CAS
1000413-72-8
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID601025726
Created by admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SOLVATE->ANHYDROUS
METABOLIC ENZYME -> SUBSTRATE
TARGET -> AGONIST
Related Record Type Details
METABOLITE INACTIVE -> PARENT
Related Record Type Details
ACTIVE MOIETY