Products for Research Use Only
RegisterLogin

Pemedolac

CAT: 0013-GTR19213659-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19213659-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Pemedolac (Dexpemedolac) is a selective COX-2 inhibitor used in research for neurological, dermatological, and musculoskeletal disorders. Its applications include in vitro enzyme assays and in vivo models of inflammation and pain, supporting mechanistic and therapeutic studies.
CAS Number
114716-16-4
Product Name Alternative
AY 30715, Dexpemedolac, COX, Pemedolac
Field of Research
Immunology & Inflammation, Neuroscience
Purity
99.70% (May vary between batches)
Solubility
DMSO:50 mg/mL (143.09 mM)
Smiles
C (C (O) =O) [C@@]1 (CC) C2=C (C=3C (N2) =CC=CC3) [C@@H] (CC4=CC=CC=C4) CO1
Molecular Formula
C22H23NO3
Molecular Weight
349.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pemedolac

Dexpemedolac is a small molecule drug. The usage of the INN stem '-ac' in the name indicates that Dexpemedolac is a anti-inflammatory agent, ibufenac derivative. Dexpemedolac has a monoisotopic molecular weight of 349.17 Da.

CAS Number114716-16-4
PubChem CID6918042
IUPAC Name2-[(1S,4R)-4-benzyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
Molecular FormulaC22H23NO3
Molecular Weight349.4
XLogP3.8
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity504
SMILES
CC[C@@]1(C2=C([C@H](CO1)CC3=CC=CC=C3)C4=CC=CC=C4N2)CC(=O)O
InChI
InChI=1S/C22H23NO3/c1-2-22(13-19(24)25)21-20(17-10-6-7-11-18(17)23-21)16(14-26-22)12-15-8-4-3-5-9-15/h3-11,16,23H,2,12-14H2,1H3,(H,24,25)/t16-,22-/m0/s1
InChIKey
BUUODSZYUAZDIF-AOMKIAJQSA-N
Chemical Structure
2D Structure
2D structure of Pemedolac
CAS: 114716-16-4
CID: 6918042
Formula: C22H23NO3
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass349.16779360
Monoisotopic Mass349.16779360
Topological Polar Surface Area62.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T68126-01Pemedolac

Popular Products