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Licofelone

CAT: 0926-FC24890-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FC24890-01Size:10 mg
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CAS Number
156897-06-2
Synonyms
2-[2- (4-Chlorophenyl) -6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid;6- (4-Chlorophenyl) -2,3-dihydro-2,2-dimethyl-7-phe nyl-1H-pyrrolizine-5-acetic acid; ML-3000; [2,2-Dimethyl-6- (4-chlorophenyl) -7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acet
MDL Number
MFCD00929900
Smiles
CC1 (CC2=C (C (=C (N2C1) CC (=O) O) C3=CC=C (C=C3) Cl) C4=CC=CC=C4) C
Molecular Formula
C23H22ClNO2
Molecular Weight
379.88 g/mol
Controlled
No

Chemical Information

Licofelone

Licofelone is a member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine substituted by methyl, methyl, carboxymethyl, 4-chlorophenyl, and phenyl groups at positions 2, 2, 5, 6, and 7, respectively. It is a dual inhibitor of cyclooxygenase isoforms and 5-lipoxygenase and is under development for treatment of osteoarthritis. It has a role as a non-steroidal anti-inflammatory drug, an analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, an antineoplastic agent, an anticonvulsant, a neuroprotective agent and an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is a monocarboxylic acid, a member of pyrrolizines and a member of monochlorobenzenes.

CAS Number156897-06-2
PubChem CID133021
IUPAC Name2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
Molecular FormulaC23H22ClNO2
Molecular Weight379.9
XLogP5.2
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity536
SMILES
CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C
InChI
InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
InChIKey
UAWXGRJVZSAUSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Licofelone
CAS: 156897-06-2
CID: 133021
Formula: C23H22ClNO2
MW: 379.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.9
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass379.1339066
Monoisotopic Mass379.1339066
Topological Polar Surface Area42.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity536
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
B1448-5Licofelone
HY-B1452S1Licofelone-d6
A11697-50Licofelone 50mg
A11697-10Licofelone 10mg
C08299-5mgLicofelone (ML3000)
A11697-200Licofelone 200mg
A11697-100Licofelone 100mg
A11697-500Licofelone 500mg

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