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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12N2O5S
Molecular Weight 284.288
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYANTIPYRINE SULFATE

SMILES

CN1N(C(=O)C(OS(O)(=O)=O)=C1C)C2=CC=CC=C2

InChI

InChIKey=CTEXUEWYEUYLCH-UHFFFAOYSA-N
InChI=1S/C11H12N2O5S/c1-8-10(18-19(15,16)17)11(14)13(12(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,15,16,17)

HIDE SMILES / InChI

Molecular Formula C11H12N2O5S
Molecular Weight 284.288
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 15:26:47 UTC 2023
Edited
by admin
on Sat Dec 16 15:26:47 UTC 2023
Record UNII
F87UDD7CMJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYANTIPYRINE SULFATE
Common Name English
3H-PYRAZOL-3-ONE, 1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-4-(SULFOOXY)-
Systematic Name English
OHA-S
Common Name English
1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-4-(SULFOOXY)-3H-PYRAZOL-3-ONE
Systematic Name English
Code System Code Type Description
CAS
81416-56-0
Created by admin on Sat Dec 16 15:26:47 UTC 2023 , Edited by admin on Sat Dec 16 15:26:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID90840154
Created by admin on Sat Dec 16 15:26:47 UTC 2023 , Edited by admin on Sat Dec 16 15:26:47 UTC 2023
PRIMARY
PUBCHEM
71420980
Created by admin on Sat Dec 16 15:26:47 UTC 2023 , Edited by admin on Sat Dec 16 15:26:47 UTC 2023
PRIMARY
FDA UNII
F87UDD7CMJ
Created by admin on Sat Dec 16 15:26:47 UTC 2023 , Edited by admin on Sat Dec 16 15:26:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
URINE