Compound Summary
Compound Information
celecoxib
Compound Name: | celecoxib |
Compound CID: | 2662 |
Synonyms: | celecoxib 169590-42-5 Celebrex Celebra Onsenal More... |
Iupac Name: | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
InChI: | 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) |
InChIKey: | RZEKVGVHFLEQIL-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F |
Isomeric Smiles: | CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F |
Molecular Weight: | 381.4 |
Molecular Formula: | C17H14F3N3O2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
celecoxib
Molecular Weight: | 381.4 |
Molecular Formula: | C17H14F3N3O2S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 26 |
Complexity: | 577 |
Synonyms
celecoxib
| celecoxib | celecoxib |
|---|---|
celecoxib |
169590-42-5 |
Celebrex |
Celebra |
Onsenal |
Celocoxib |
Celecox |
SC 58635 |
4-5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YLBENZENESULFONAMIDE |
SC-58635 |
YM177 |
4-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-ylbenzenesulfonamide |
184007-95-2 |
YM 177 |
C17H14F3N3O2S |
HSDB 7038 |
UNII-JCX84Q7J1L |
p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide |
MFCD00941298 |
SC58635 |
4-5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-ylbenzene-1-sulfonamide |
4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide |
YM-177 |
CHEMBL118 |
JCX84Q7J1L |
CHEBI:41423 |
4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide |
194044-54-7 |
NCGC00091455-01 |
Xilebao |
DSSTox_CID_2777 |
4-5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl-benzenesulfonamide |
benzenesulfonamide, 4-5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl- |
DSSTox_RID_76725 |
DSSTox_GSID_22777 |
Celecoxi |
Solexa |
4-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-ylbenzenesulfonami de |
Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)- |
Celebrex (TN) |
SMR000550473 |
CAS-169590-42-5 |
SR-01000837528 |
Celecoxibum |
Celecoxib USAN:INN:BAN |
CCRIS 9330 |
TPI-336 |
Celecoxib- Bio-X |
Celecoxib-d4 |
Onsenal (TN) |
AI-525 |
CEP-33222 |
CELEBCOXIB |
Spectrum_000432 |
1oq5 |
Spectrum2_001576 |
Spectrum3_001996 |
Spectrum4_000182 |
Spectrum5_001324 |
cid_2662 |
SCHEMBL3708 |
Celecoxib (JAN/USP/INN) |
DFN15 |
BSPBio_003596 |
KBioGR_000723 |
KBioGR_002351 |
KBioSS_000912 |
KBioSS_002354 |
cc-518 |
MLS001165684 |
MLS001195656 |
MLS001304708 |
MLS006011862 |
BIDD:GT0408 |
DivK1c_000893 |
SPECTRUM1503678 |
SPBio_001512 |
DFN-15 |
GTPL2892 |
Celecoxib, >=98% (HPLC) |
DTXSID0022777 |
BDBM11639 |
HMS502M15 |
KBio1_000893 |
KBio2_000912 |
KBio2_002351 |
KBio2_003480 |
KBio2_004919 |
KBio2_006048 |
KBio2_007487 |
KBio3_002830 |
KBio3_003037 |
EX-A175 |
SYN3015 |
cMAP_000027 |
NINDS_000893 |
BCPP000290 |
Elyxyb (DFN-15; oral solution) |
HMS1922G14 |
HMS2089L18 |
HMS2093I07 |
HMS2234N18 |
HMS3259L08 |
HMS3261A14 |
HMS3373A09 |
HMS3654H09 |
HMS3715F11 |
HMS3867I03 |
HMS3884M07 |
Pharmakon1600-01503678 |
ACT02648 |
ALBB-033772 |
BCP02156 |
EBD24636 |
ZINC2570895 |
Tox21_111135 |
Tox21_201964 |
Tox21_300599 |
Tox21_500406 |
US8741944, Comparative Compound |
4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide |
4-5-(p-Tolyl)-3-(trifluoromethyl)-1-pyrazolylbenzenesulfonamide |
4-5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-ylbenzenesulfonamide |
BBL029086 |
CCG-39354 |
NSC719627 |
NSC758624 |
s1261 |
STL373576 |
Celecoxib 1.0 mg/ml in Acetonitrile |
AKOS015842517 |
Tox21_111135_1 |
AC-4228 |
AM84588 |
AT-3762 |
BCP9000507 |
CS-0570 |
DB00482 |
KS-1041 |
MCULE-4750749400 |
NC00708 |
NSC 719627 |
NSC 758624 |
NSC-719627 |
NSC-758624 |
SB19318 |
Benzenesulfonamide,4-5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl- |
IDI1_000893 |
NCGC00091455-02 |
NCGC00091455-03 |
NCGC00091455-04 |
NCGC00091455-05 |
NCGC00091455-06 |
NCGC00091455-07 |
NCGC00091455-08 |
NCGC00091455-09 |
NCGC00091455-13 |
NCGC00254540-01 |
NCGC00259513-01 |
NCGC00261091-01 |
BC164295 |
BP-30217 |
HY-14398 |
NCI60_041049 |
PHA-00846533 |
SY064976 |
SBI-0051875.P002 |
AB0012055 |
CJ-016377 |
CP-598107 |
UNM-0000305813 |
FT-0601628 |
FT-0623536 |
FT-0700357 |
SW199611-3 |
PF-00345549 |
A25046 |
C07589 |
D00567 |
J10035 |
AB00052396-07 |
AB00052396-08 |
AB00052396-09 |
AB00052396_10 |
AB00052396_11 |
590C425 |
Q408801 |
J-010566 |
J-520011 |
Q-200816 |
SR-01000837528-2 |
SR-01000837528-3 |
BRD-K02637541-001-02-4 |
BRD-K02637541-001-06-5 |
Z2210694606 |
Celecoxib, European Pharmacopoeia (EP) Reference Standard |
Celecoxib, United States Pharmacopeia (USP) Reference Standard |
4-5-(4-Methylphenyl)-3-(trifluoromethyl)-pyrazol-1-ylbenzenesulfonamide |
4-5-(4-Methylphenyl)-3-trifluoromethyl)-1H-pyrazol-ylbenzenesulfonamide |
5-(4-Methylphenyl)-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazole |
Celecoxib, Pharmaceutical Secondary Standard; Certified Reference Material |
4-5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyazol-1-ylbenezenesulfonamide |
4-5-(4-Methylphenyl)-3-(trifluoromethyl)-pyrazol-1-ylbenzenesulfonamide;4-5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-ylbenzenesulfonamide |
Experimental Data
celecoxib
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 50 | umol/L | 17.15 | 18.35 | 7 | NS | N2 | 21348927 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 17.15 | 20.59 | 20.1 | S | N2 | 21348927 | Active | ||||
| Caenorhabditis elegans | 50 | umol/L | 18.07 | 19.28 | 6.7 | S | N2 | 21348927 | Active | ||||
| Caenorhabditis elegans | 10 | umol/L | 18.07 | 21.22 | 17.4 | S | N2 | 21348927 | Active | ||||
| Caenorhabditis elegans | 0.5 | umol/L | 17.15 | 18.17 | 5.9 | NS | N2 | 21348927 | Inactive | ||||
| Caenorhabditis elegans | 2 | umol/L | 16.52 | 19.73 | 19.4 | S | N2 | 21348927 | Active | ||||
| Caenorhabditis elegans | 2 | umol/L | 17.15 | 18.94 | 10.4 | S | N2 | 21348927 | Active | ||||
| Caenorhabditis elegans | 2 | umol/L | 18.07 | 20.29 | 12.3 | S | N2 | 21348927 | Active |
Experimental Data Visualization
celecoxib
Statistics Data
celecoxib
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 20.1 | 1 | 8 |
Statistics Data Visualization
celecoxib
