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Details

Stereochemistry EPIMERIC
Molecular Formula C20H19F6N5O5
Molecular Weight 523.3858
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITAGLIPTIN FUMARATE ADDUCT

SMILES

OC(=O)CC(N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=CC(F)=C(F)C=C3F)C(O)=O

InChI

InChIKey=SDIOBAOATSWLLA-IAPIXIRKSA-N
InChI=1S/C20H19F6N5O5/c21-11-6-13(23)12(22)4-9(11)3-10(27-14(18(35)36)7-17(33)34)5-16(32)30-1-2-31-15(8-30)28-29-19(31)20(24,25)26/h4,6,10,14,27H,1-3,5,7-8H2,(H,33,34)(H,35,36)/t10-,14?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SITAGLIPTIN FUMARATE ADDUCT
Common Name English
(R)-SITAGLIPTIN RAC-FUMARATE ADDUCT (MIXTURE OF DIASTEREOMERS)
Common Name English
FUMARATE ADDUCT OF SITAGLIPTIN
Common Name English
SITAGLIPTIN SUCCINYL
Common Name English
L-ASPARTIC ACID, N-((1R)-3-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-3-OXO-1-((2,4,5-TRIFLUOROPHENYL)METHYL)PROPYL)-
Systematic Name English
Code System Code Type Description
CAS
2088771-60-0
Created by admin on Sat Dec 16 18:59:57 GMT 2023 , Edited by admin on Sat Dec 16 18:59:57 GMT 2023
PRIMARY
PUBCHEM
145714398
Created by admin on Sat Dec 16 18:59:57 GMT 2023 , Edited by admin on Sat Dec 16 18:59:57 GMT 2023
PRIMARY
FDA UNII
5LA6J63SC2
Created by admin on Sat Dec 16 18:59:57 GMT 2023 , Edited by admin on Sat Dec 16 18:59:57 GMT 2023
PRIMARY