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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H10F3NO2
Molecular Weight 233.1871
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITAGLIPTIN ACID

SMILES

N[C@@H](CC(O)=O)CC1=CC(F)=C(F)C=C1F

InChI

InChIKey=KEFQQJVYCWLKPL-ZCFIWIBFSA-N
InChI=1S/C10H10F3NO2/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16/h2,4,6H,1,3,14H2,(H,15,16)/t6-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SITAGLIPTIN ACID
Common Name English
(3R)-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID
Systematic Name English
BENZENEBUTANOIC ACID, .BETA.-AMINO-2,4,5-TRIFLUORO-
Systematic Name English
BENZENEBUTANOIC ACID, .BETA.-AMINO-2,4,5-TRIFLUORO-, (.BETA.R)-
Systematic Name English
Code System Code Type Description
CAS
936630-57-8
Created by admin on Sat Dec 16 18:35:36 GMT 2023 , Edited by admin on Sat Dec 16 18:35:36 GMT 2023
PRIMARY
CAS
1283583-85-6
Created by admin on Sat Dec 16 18:35:36 GMT 2023 , Edited by admin on Sat Dec 16 18:35:36 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
NG2PN5Z4PE
Created by admin on Sat Dec 16 18:35:36 GMT 2023 , Edited by admin on Sat Dec 16 18:35:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID60428049
Created by admin on Sat Dec 16 18:35:36 GMT 2023 , Edited by admin on Sat Dec 16 18:35:36 GMT 2023
PRIMARY
PUBCHEM
23146023
Created by admin on Sat Dec 16 18:35:36 GMT 2023 , Edited by admin on Sat Dec 16 18:35:36 GMT 2023
PRIMARY PUBCHEM