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Clofedanol

CAT: 0931-T20673-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T20673-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
791-35-5
Target
Others
Related Pathways
Others
Bioactivity
Clofedanol, also known as chlophedianol or antitussin, is used in the treatment of pediatric pertussis.
Smiles
C(CCN(C)C)(O)(C1=C(Cl)C=CC=C1)C2=CC=CC=C2
Molecular Formula
C17H20ClNO
Molecular Weight
289.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chlophedianol

Clofedanol is a diarylmethane that is 2-chlorophenyl(phenyl)methane substituted on the methane carbon by a 2-(dimethylamino)ethyl group. Used in the treatment of dry cough, it suppresses the cough reflex by a direct effect on the cough centre in the medulla of the brain. It has a role as an antitussive. It is a tertiary amino compound and a diarylmethane. It is a conjugate base of a clofedanol(1+).

CAS Number791-35-5
PubChem CID2795
IUPAC Name1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
Molecular FormulaC17H20ClNO
Molecular Weight289.8
XLogP3.6
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity291
SMILES
CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
InChI
InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
InChIKey
WRCHFMBCVFFYEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlophedianol
CAS: 791-35-5
CID: 2795
Formula: C17H20ClNO
MW: 289.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.8
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass289.1233420
Monoisotopic Mass289.1233420
Topological Polar Surface Area23.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5772615Clofedanol
TRC-C586920-50MGClofedanol Hydrochloride
AR-C08053-01Clofedanol HCl
RCA17185-01Clofedanol o-β-D-glucuronide
AR-C08052-01N-Nitroso-Desmethyl Clofedanol

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