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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=C(F)C=C(F)C(F)=C1

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
149124
Name Type Language
(R)-SITAGLIPTIN METHYL ESTER
Common Name English
(3R)-METHYL 3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE
Preferred 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
Code System Code Type Description
PUBCHEM
49784072
Created by admin on Mon Mar 31 23:43:48 GMT 2025 , Edited by admin on Mon Mar 31 23:43:48 GMT 2025
PRIMARY
CAS
881995-69-3
Created by admin on Mon Mar 31 23:43:48 GMT 2025 , Edited by admin on Mon Mar 31 23:43:48 GMT 2025
PRIMARY
FDA UNII
Z5P7N9X4XU
Created by admin on Mon Mar 31 23:43:48 GMT 2025 , Edited by admin on Mon Mar 31 23:43:48 GMT 2025
PRIMARY
NIH
NCATS
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