Products for Research Use Only
RegisterLogin

Clopirac

CAT: 0931-T60431-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T60431-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
42779-82-8
Target
Others, PGE Synthase
Related Pathways
Others, Immunology/Inflammation
Bioactivity
Clopirac, a potent and orally active prostaglandin synthetase inhibitor, functions as an anti-inflammatory agent [1].
Smiles
CC=1N(C(C)=CC1CC(O)=O)C2=CC=C(Cl)C=C2
Molecular Formula
C14H14ClNO2
Molecular Weight
263.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Clopirac

Clopirac is a member of pyrroles.

CAS Number42779-82-8
PubChem CID39299
IUPAC Name2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Molecular FormulaC14H14ClNO2
Molecular Weight263.72
XLogP3.2
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity302
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CC(=O)O
InChI
InChI=1S/C14H14ClNO2/c1-9-7-11(8-14(17)18)10(2)16(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H,17,18)
InChIKey
SJCRQMUYEQHNTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clopirac
CAS: 42779-82-8
CID: 39299
Formula: C14H14ClNO2
MW: 263.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.72
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass263.0713064
Monoisotopic Mass263.0713064
Topological Polar Surface Area42.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity302
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

Alternative Products

CatalogName
MBS5803159Clopirac

Popular Products