SITAGLIPTIN FUMARATE ADDUCT

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

Structure Search

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

Molecular Formula	C20H19F6N5O5
Molecular Weight	523.3858
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:59:57 GMT 2023` Edited by `admin` on `Sat Dec 16 18:59:57 GMT 2023`
Record UNII	5LA6J63SC2
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

Related Record Type Details


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SITAGLIPTIN PHOSPHATE

PARENT -> IMPURITY

Comments:

TABLET MONOGRAPH

Amount: