SITAGLIPTIN DIMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H23F9N6O2
Molecular Weight	622.4854
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N[C@@H](CC(=O)N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=CC(F)=C(F)C=C3F)CC4=CC(F)=C(F)C=C4F

InChI

InChIKey=KEGYDGSEECVTIB-HUUCEWRRSA-N

InChI=1S/C26H23F9N6O2/c27-16-9-20(31)18(29)5-12(16)3-14(36)7-23(42)37-15(4-13-6-19(30)21(32)10-17(13)28)8-24(43)40-1-2-41-22(11-40)38-39-25(41)26(33,34)35/h5-6,9-10,14-15H,1-4,7-8,11,36H2,(H,37,42)/t14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H23F9N6O2
Molecular Weight	622.4854
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:10:49 UTC 2023` Edited by `admin` on `Sat Dec 16 18:10:49 UTC 2023`
Record UNII	Q36HRH72XU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITAGLIPTIN DIMER

Common Name

English

BENZENEBUTANAMIDE, .BETA.-AMINO-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)-2,4,5-TRIFLUORO-, (.BETA.R)-

Systematic Name

English

(.BETA.R)-.BETA.-AMINO-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)-2,4,5-TRIFLUOROBENZENEBUTANAMIDE

Systematic Name

English

3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANYL SITAGLIPTIN

Common Name

English

Code System Code Type Description

PUBCHEM

124222562

Created by admin on Sat Dec 16 18:10:49 UTC 2023 , Edited by admin on Sat Dec 16 18:10:49 UTC 2023

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CAS

2072867-07-1

Created by admin on Sat Dec 16 18:10:49 UTC 2023 , Edited by admin on Sat Dec 16 18:10:49 UTC 2023

PRIMARY

FDA UNII

Q36HRH72XU

Created by admin on Sat Dec 16 18:10:49 UTC 2023 , Edited by admin on Sat Dec 16 18:10:49 UTC 2023

PRIMARY

Related Record Type Details


					TS63EW8X6F

SITAGLIPTIN PHOSPHATE

PARENT -> IMPURITY

Comments:

The content of N-Boc TP butanoic acid and dimer is restricted to "Not more than 0.5%" in the specifications of N-Boc TP butanoic acid. This controls Sitagliptin dimer impurity in Sitagliptin phosphate.

Amount: