U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H16N2O3S
Molecular Weight 364.418
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-(4-CYANO-1-NAPHTHYL)-1-OXIDO-PYRIDIN-1-IUM-4-YL)SULFANYL-2-METHYL-PROPANOIC ACID

SMILES

CC(C)(SC1=C(C=[N+]([O-])C=C1)C2=C3C=CC=CC3=C(C=C2)C#N)C(O)=O

InChI

InChIKey=KEVIICNAMSTNJT-UHFFFAOYSA-N
InChI=1S/C20H16N2O3S/c1-20(2,19(23)24)26-18-9-10-22(25)12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C20H16N2O3S
Molecular Weight 364.418
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 15:13:53 GMT 2023
Edited
by admin
on Sat Dec 16 15:13:53 GMT 2023
Record UNII
NA4V86GT4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-(4-CYANO-1-NAPHTHYL)-1-OXIDO-PYRIDIN-1-IUM-4-YL)SULFANYL-2-METHYL-PROPANOIC ACID
Systematic Name English
VERINURAD METABOLITE M4
Common Name English
PROPANOIC ACID, 2-((3-(4-CYANO-1-NAPHTHALENYL)-1-OXIDO-4-PYRIDINYL)THIO)-2-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
156596386
Created by admin on Sat Dec 16 15:13:53 GMT 2023 , Edited by admin on Sat Dec 16 15:13:53 GMT 2023
PRIMARY
FDA UNII
NA4V86GT4N
Created by admin on Sat Dec 16 15:13:53 GMT 2023 , Edited by admin on Sat Dec 16 15:13:53 GMT 2023
PRIMARY
CAS
2229834-94-8
Created by admin on Sat Dec 16 15:13:53 GMT 2023 , Edited by admin on Sat Dec 16 15:13:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
TRACE LEVELS
URINE