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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14F3N3O2S
Molecular Weight 381.372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CELECOXIB

SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(N)(=O)=O)C(F)(F)F

InChI

InChIKey=RZEKVGVHFLEQIL-UHFFFAOYSA-N
InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

HIDE SMILES / InChI
Molecular Formula C17H14F3N3O2S
Molecular Weight 381.372
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:02 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:02 UTC 2023
Record UNII
JCX84Q7J1L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CELECOXIB
EMA EPAR   HSDB   INN   JAN   MART.   MI   ORANGE BOOK   USAN   USP-RS   VANDF   WHO-DD  
INN   USAN  
Official Name English
CELECOXIB [USP MONOGRAPH]
Common Name English
celecoxib [INN]
Common Name English
SC-58635
Code English
CONSENSI COMPONENT CELECOXIB
Brand Name English
Celecoxib [WHO-DD]
Common Name English
CELECOXIB [MI]
Common Name English
CELECOXIB [EMA EPAR]
Common Name English
CELECOXIB [JAN]
Common Name English
CELEBREX
Brand Name English
NSC-719627
Code English
P-(5-P-TOLYL-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL)BENZENESULFONAMIDE
Common Name English
DFN15
Code English
CELECOXIB COMPONENT OF CONSENSI
Brand Name English
CELECOXIB [VANDF]
Common Name English
CELECOXIB [MART.]
Common Name English
ONSENAL
Brand Name English
CELECOXIB [USP-RS]
Common Name English
NSC-758624
Code English
DFN-15
Code English
4-(5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE
Systematic Name English
ELYXYB
Brand Name English
CELECOXIB [EP MONOGRAPH]
Common Name English
CELECOXIB [ORANGE BOOK]
Common Name English
CELECOXIB [USAN]
Common Name English
CELECOXIB [HSDB]
Common Name English
Classification Tree Code System Code
WHO-VATC QL01XX33
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
NDF-RT N0000175721
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
LIVERTOX NBK548579
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
EU-Orphan Drug EU/3/01/070
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
WHO-VATC QM01AH01
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
EMA ASSESSMENT REPORTS ONSENAL (WITHDRAWN: ADENOMATOUS POLYPOSIS COLI)
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
FDA ORPHAN DRUG 718519
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
FDA ORPHAN DRUG 549716
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
NDF-RT N0000000160
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
NCI_THESAURUS C80509
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
WHO-ATC M01AH01
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
NDF-RT N0000175722
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
WHO-ATC L01XX33
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
FDA ORPHAN DRUG 751420
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
Code System Code Type Description
RS_ITEM_NUM
1098504
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
DAILYMED
JCX84Q7J1L
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
WIKIPEDIA
CELECOXIB
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID0022777
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
DRUG BANK
DB00482
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
RXCUI
140587
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY RxNorm
USAN
II-37
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
LACTMED
Celecoxib
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
INN
7767
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
FDA UNII
JCX84Q7J1L
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
NSC
758624
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
MERCK INDEX
m3228
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C1728
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
IUPHAR
2892
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
ChEMBL
CHEMBL118
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
SMS_ID
100000089391
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
DRUG CENTRAL
568
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
PUBCHEM
2662
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
HSDB
7038
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
MESH
C105934
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
CAS
169590-42-5
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
NSC
719627
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
CHEBI
41423
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
EVMPD
SUB01143MIG
Created by admin on Fri Dec 15 15:56:02 UTC 2023 , Edited by admin on Fri Dec 15 15:56:02 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 2D15 (CANINE)
METABOLIC ENZYME -> SUBSTRATE
Structure of CELECOXIB TRAMADOL HYDROCHLORIDE CO-CRYSTAL
SALT/SOLVATE -> PARENT
CYTOCHROME P450 2C9
METABOLIC ENZYME -> SUBSTRATE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of CELECOXIB TRAMADOL HYDROBROMIDE CO-CRYSTAL
SALT/SOLVATE -> PARENT
COX-2
TARGET -> INHIBITOR
Related Record Type Details
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(4-(1-(4-(AMINOSULFONYL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)BENZOATE)
METABOLITE -> PARENT
less than 2% of the dose
MINOR
URINE
Structure of 4'-HYDROXYCELECOXIB
METABOLITE -> PARENT
1-3% in plasma
MINOR
PLASMA
Structure of 4-(1-(4-(AMINOSULFONYL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)BENZOIC ACID
METABOLITE -> PARENT
In urine and feces, representing 18.8 and 54.4% of the dose, respectively.
MAJOR
FECAL; URINE
Related Record Type Details
Structure of 4-(3-(4-METHYLPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of CELECOXIB N-DES(BENZENESULFONAMIDE)
IMPURITY -> PARENT
Structure of 4-DESMETHYL-2-METHYL CELECOXIB
IMPURITY -> PARENT
Structure of 2-METHYL CELECOXIB
IMPURITY -> PARENT
Structure of 4-((3-(4-METHYLPHENYL)-3-OXO-1-(TRIFLUOROMETHYL)PROPYLIDENE)AMINO)BENZENESULFONAMIDE
IMPURITY -> PARENT
Structure of 4-(5-(3-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of CELECOXIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
NIH
NCATS
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