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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H15ClN2O3S
Molecular Weight 374.841
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6'-HYDROXYMETHYL ETORICOXIB

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(Cl)=CN=C2C3=CC=C(CO)N=C3

InChI

InChIKey=SCVWZQQMIZJGJY-UHFFFAOYSA-N
InChI=1S/C18H15ClN2O3S/c1-25(23,24)16-6-3-12(4-7-16)17-8-14(19)10-21-18(17)13-2-5-15(11-22)20-9-13/h2-10,22H,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H15ClN2O3S
Molecular Weight 374.841
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 15:42:53 UTC 2023
Edited
by admin
on Sat Dec 16 15:42:53 UTC 2023
Record UNII
8A0E1G55M9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6'-HYDROXYMETHYL ETORICOXIB
Common Name English
6'-DESMETHYL-6'-METHYLHYDROXY ETORICOXIB
Common Name English
(2,3'-BIPYRIDINE)-6'-METHANOL, 5-CHLORO-3-(4-(METHYLSULFONYL)PHENYL)-
Systematic Name English
6'-HYDROXYMETHYL-ETORICOXIB
Common Name English
(5-(5-CHLORANYL-3-(4-METHYLSULFONYLPHENYL)PYRIDIN-2-YL)PYRIDIN-2-YL)METHANOL
Systematic Name English
5-CHLORO-3-(4-(METHYLSULFONYL)PHENYL)(2,3'-BIPYRIDINE)-6'-METHANOL
Systematic Name English
Code System Code Type Description
PUBCHEM
44266438
Created by admin on Sat Dec 16 15:42:53 UTC 2023 , Edited by admin on Sat Dec 16 15:42:53 UTC 2023
PRIMARY
CAS
349536-41-0
Created by admin on Sat Dec 16 15:42:53 UTC 2023 , Edited by admin on Sat Dec 16 15:42:53 UTC 2023
PRIMARY
FDA UNII
8A0E1G55M9
Created by admin on Sat Dec 16 15:42:53 UTC 2023 , Edited by admin on Sat Dec 16 15:42:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FOLLOWING INTRAVENOUS ADMINISTRATION
URINE
PARENT -> METABOLITE
FECAL; PLASMA
PARENT -> METABOLITE
FOLLOWING ORAL ADMINISTRATION
URINE