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Piclamilast

CAT: 0127-BUP03849-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03849-01Size:5 mg
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CAS Number
144035-83-6
Synonyms
RP 73401, RPR 73401
Purity
=98%
Smiles
COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl

Chemical Information

Piclamilast

Piclamilast is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine. It has a role as a bronchodilator agent, an anti-asthmatic drug, an anti-inflammatory agent and a phosphodiesterase IV inhibitor. It is a member of benzamides, a monocarboxylic acid amide, an aromatic ether and a chloropyridine.

CAS Number144035-83-6
PubChem CID154575
IUPAC Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.2
XLogP4.2
Topological Polar Surface Area60.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity438
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3
InChI
InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKey
RRRUXBQSQLKHEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piclamilast
CAS: 144035-83-6
CID: 154575
Formula: C18H18Cl2N2O3
MW: 381.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.2
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass380.0694478
Monoisotopic Mass380.0694478
Topological Polar Surface Area60.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity438
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
B5630-5Piclamilast
HY-12887RPiclamilast (Standard)

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