SITAGLIPTIN KETO AMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H12F6N4O2
Molecular Weight	406.2825
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

FC1=CC(F)=C(F)C=C1CC(=O)CC(=O)N2CCN3C(C2)=NN=C3C(F)(F)F

InChI

InChIKey=QAEDTLFWHIEVPK-UHFFFAOYSA-N

InChI=1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2

HIDE SMILES / InChI

Molecular Formula	C16H12F6N4O2
Molecular Weight	406.2825
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:58:24 GMT 2023` Edited by `admin` on `Sat Dec 16 18:58:24 GMT 2023`
Record UNII	CZZ5UJ9MJ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITAGLIPTIN KETO AMIDE

Common Name

English

SITAGLIPTIN KETO AMIDE IMPURITY

Common Name

English

PROSITAGLIPTIN KETONE

Common Name

English

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

Common Name

English

7-(1,3-DIOXO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL)-3-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-1,2,4-TRIAZOLO(4,3-A)PYRAZINE

Common Name

English

1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTANE-1,3-DIONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

9887588

Created by admin on Sat Dec 16 18:58:24 GMT 2023 , Edited by admin on Sat Dec 16 18:58:24 GMT 2023

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FDA UNII

CZZ5UJ9MJ6

Created by admin on Sat Dec 16 18:58:24 GMT 2023 , Edited by admin on Sat Dec 16 18:58:24 GMT 2023

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CAS

764667-65-4

Created by admin on Sat Dec 16 18:58:24 GMT 2023 , Edited by admin on Sat Dec 16 18:58:24 GMT 2023

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EPA CompTox

DTXSID50432418

Created by admin on Sat Dec 16 18:58:24 GMT 2023 , Edited by admin on Sat Dec 16 18:58:24 GMT 2023

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