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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12F3NO2
Molecular Weight 247.2137
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (R)-SITAGLIPTIN METHYL ESTER

SMILES

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

InChI

InChIKey=AWFWTEYDIPQVSG-SSDOTTSWSA-N
InChI=1S/C11H12F3NO2/c1-17-11(16)4-7(15)2-6-3-9(13)10(14)5-8(6)12/h3,5,7H,2,4,15H2,1H3/t7-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(R)-SITAGLIPTIN METHYL ESTER
Common Name English
METHYL (.BETA.R)-.BETA.-AMINO-2,4,5-TRIFLUOROBENZENEBUTANOATE
Systematic Name English
BENZENEBUTANOIC ACID, .BETA.-AMINO-2,4,5-TRIFLUORO-, METHYL ESTER, (.BETA.R)-
Systematic Name English
(3R)-METHYL 3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE
Common Name English
Code System Code Type Description
PUBCHEM
49784072
Created by admin on Sat Dec 16 11:16:16 GMT 2023 , Edited by admin on Sat Dec 16 11:16:16 GMT 2023
PRIMARY
CAS
881995-69-3
Created by admin on Sat Dec 16 11:16:16 GMT 2023 , Edited by admin on Sat Dec 16 11:16:16 GMT 2023
PRIMARY
FDA UNII
Z5P7N9X4XU
Created by admin on Sat Dec 16 11:16:16 GMT 2023 , Edited by admin on Sat Dec 16 11:16:16 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966