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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H15ClN2O2S
Molecular Weight 358.842
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETORICOXIB

SMILES

CC1=NC=C(C=C1)C2=C(C=C(Cl)C=N2)C3=CC=C(C=C3)S(C)(=O)=O

InChI

InChIKey=MNJVRJDLRVPLFE-UHFFFAOYSA-N
InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H15ClN2O2S
Molecular Weight 358.842
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 Fri Dec 15 15:48:16 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:16 UTC 2023
Record UNII
WRX4NFY03R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETORICOXIB
INN   MART.   MI   USAN   USP-RS   WHO-DD  
USAN   INN  
Official Name English
MK-0663
Code English
ETORICOXIB [MI]
Common Name English
5-CHLORO-6'-METHYL-3-(4-(METHYLSULFONYL)PHENYL)-2,3'-BIPYRIDINE
Systematic Name English
ARCOXIA
Brand Name English
ETORICOXIB [USAN]
Common Name English
L-791456
Code English
Etoricoxib [WHO-DD]
Common Name English
ETORICOXIB [MART.]
Common Name English
2,3'-BIPYRIDINE, 5-CHLORO-6'-METHYL-3-(4-(METHYLSULFONYL)PHENYL)-
Systematic Name English
etoricoxib [INN]
Common Name English
Classification Tree Code System Code
WHO-ATC M01AH05
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
WHO-VATC QM01AH05
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
NCI_THESAURUS C1323
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
Code System Code Type Description
IUPHAR
2896
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
USAN
MM-46
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
SMS_ID
100000078581
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
DRUG CENTRAL
1113
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL416146
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
PUBCHEM
123619
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
MERCK INDEX
m5200
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY Merck Index
EVMPD
SUB16429MIG
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
CAS
202409-33-4
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
INN
8082
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
NCI_THESAURUS
C52188
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
CHEBI
6339
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
WIKIPEDIA
ETORICOXIB
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
RXCUI
307296
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY RxNorm
FDA UNII
WRX4NFY03R
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID3046457
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
DRUG BANK
DB01628
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
MESH
C422649
Created by admin on Fri Dec 15 15:48:16 UTC 2023 , Edited by admin on Fri Dec 15 15:48:16 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
SELECTIVE
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
EXCRETED UNCHANGED
URINE
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
METABOLITE -> PARENT
FOLLOWING INTRAVENOUS ADMINISTRATION
URINE
METABOLITE -> PARENT
FOLLOWING INTRAVENOUS ADMINISTRATION
URINE
METABOLITE -> PARENT
FOLLOWING INTRAVENOUS ADMINISTRATION
MAJOR
URINE
METABOLITE -> PARENT
FOLLOWING INTRAVENOUS ADMINISTRATION
URINE
METABOLITE -> PARENT
FOLLOWING INTRAVENOUS ADMINISTRATION
URINE
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

ORAL SOLUTION DOSE

Tmax PHARMACOKINETIC ORAL SOLUTION DOSE

ORAL ADMINISTRATION

ORAL BIOAVAILABILITY PHARMACOKINETIC