SITAGLIPTIN N-SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H15F6N5O4S
Molecular Weight	487.377
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=C(F)C=C(F)C(F)=C3

InChI

InChIKey=AOWQKFDVSZMKPA-SECBINFHSA-N

InChI=1S/C16H15F6N5O4S/c17-10-6-12(19)11(18)4-8(10)3-9(25-32(29,30)31)5-14(28)26-1-2-27-13(7-26)23-24-15(27)16(20,21)22/h4,6,9,25H,1-3,5,7H2,(H,29,30,31)/t9-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

SITAGLIPTIN N-SULFATE

Common Name

English

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)SULFAMIC ACID

Systematic Name

English

SULFAMIC 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

SITAGLIPTIN-N-SULFATE

Common Name

English

L-001313382

Code

English

SITAGLIPTIN METABOLITE M1

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00676143

Created by admin on Sat Dec 16 14:40:12 GMT 2023 , Edited by admin on Sat Dec 16 14:40:12 GMT 2023

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CAS

940002-57-3

Created by admin on Sat Dec 16 14:40:12 GMT 2023 , Edited by admin on Sat Dec 16 14:40:12 GMT 2023

PRIMARY

FDA UNII

VR8MN4J1VM

Created by admin on Sat Dec 16 14:40:12 GMT 2023 , Edited by admin on Sat Dec 16 14:40:12 GMT 2023

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PUBCHEM

46782925

Created by admin on Sat Dec 16 14:40:12 GMT 2023 , Edited by admin on Sat Dec 16 14:40:12 GMT 2023

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PARENT (METABOLITE)


					QFP0P1DV7Z

SITAGLIPTIN

SUBSTANCE RECORD


					VR8MN4J1VM

SITAGLIPTIN N-SULFATE