SITAGLIPTIN ENAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H13F6N5O
Molecular Weight	405.2977
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N\C(CC1=CC(F)=C(F)C=C1F)=C/C(=O)N2CCN3C(C2)=NN=C3C(F)(F)F

InChI

InChIKey=RLSFDUAUKXKPCZ-UITAMQMPSA-N

InChI=1S/C16H13F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4-6H,1-3,7,23H2/b9-5-

HIDE SMILES / InChI

Molecular Formula	C16H13F6N5O
Molecular Weight	405.2977
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:06:20 GMT 2023` Edited by `admin` on `Sat Dec 16 19:06:20 GMT 2023`
Record UNII	DC8PXU74K8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITAGLIPTIN ENAMINE

Common Name

English

(2Z)-3-AMINO-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-2-BUTEN-1-ONE

Systematic Name

English

2-BUTEN-1-ONE, 3-AMINO-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-, (2Z)-

Systematic Name

English

SITAGLIPTIN ENAMINE IMPURITY

Common Name

English

Code System Code Type Description

PUBCHEM

29986152

Created by admin on Sat Dec 16 19:06:20 GMT 2023 , Edited by admin on Sat Dec 16 19:06:20 GMT 2023

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CAS

767340-03-4

Created by admin on Sat Dec 16 19:06:20 GMT 2023 , Edited by admin on Sat Dec 16 19:06:20 GMT 2023

PRIMARY

EPA CompTox

DTXSID301103416

Created by admin on Sat Dec 16 19:06:20 GMT 2023 , Edited by admin on Sat Dec 16 19:06:20 GMT 2023

PRIMARY

FDA UNII

DC8PXU74K8

Created by admin on Sat Dec 16 19:06:20 GMT 2023 , Edited by admin on Sat Dec 16 19:06:20 GMT 2023

PRIMARY

Related Record Type Details


					TS63EW8X6F

SITAGLIPTIN PHOSPHATE

PARENT -> IMPURITY

Amount: