Products for Research Use Only
RegisterLogin

1-Hydroxyvaldecoxib

CAT: 0013-GTR19209837-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19209837-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
1-Hydroxyvaldecoxib is a selective cyclooxygenase-2 (COX-2) inhibitor. This active metabolite of valdecoxib is used in biochemical research to study COX-2-mediated processes in both in vitro assays and in vivo inflammatory disease models.
CAS Number
181695-81-8
Smiles
C (O) C1=C (C (=NO1) C2=CC=CC=C2) C3=CC=C (S (N) (=O) =O) C=C3
Molecular Formula
C16H14N2O4S
Molecular Weight
330.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Hydroxyvaldecoxib
CAS Number181695-81-8
PubChem CID9818888
IUPAC Name4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
Molecular FormulaC16H14N2O4S
Molecular Weight330.4
XLogP1.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity479
SMILES
C1=CC=C(C=C1)C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)N)CO
InChI
InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)
InChIKey
UJSFKTUZOASIPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxyvaldecoxib
CAS: 181695-81-8
CID: 9818888
Formula: C16H14N2O4S
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass330.06742811
Monoisotopic Mass330.06742811
Topological Polar Surface Area115 Ų
Heavy Atom Count23
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19169514-011,1,1,1-Kestohexaose
GTR19217879-01AMPK-α1β1γ1 activator 1
GTR191890321,1,1-Tribromoacetone
GTR191902241,1,1,3-Tetrachloroacetone
GTR191901241-Bromo-1,1-dichloroacetone
GTR19218855-01TWIK-1/TREK-1-IN-1
GTR19221683-011,1′,1′′,1′′′-[1,4-Piperazinediylbis (2,1-ethanediylnitrilo) ]tetrakis[2-dodecanol]
GTR19276756-013-Aminobicyclo[1.1.1]pentane-1-carbonitrile
GTR19264158-01C22:1 1-Deoxyceramide (m18:1/22:1)
GTR19175704-01ICAM-1-IN-1

Alternative Products

CatalogName
MBS58126961-Hydroxyvaldecoxib
OF59775-011,1,1,1,1-Kestoheptaose
OK59466-011,1,1,1-Kestohexose
S3306-1mg1,1,1,1-Kestohexaose
TRC-T773995-100MG1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
HY-157129AMPK-α1β1γ1 activator 1
OR3001791-Isothiocyanatobicyclo[1.1.1]pentane
OR3001741-Isocyanatobicyclo[1.1.1]pentane
DFA88480-011-Bromobicyclo[1.1.1]pentane
FT77421-011,1,1-Trifluorobutane

Popular Products