SynCED: Chlophedianol

Record Information

Version

1.0

Creation Date

2009-07-21 20:28:58 UTC

Update Date

2026-05-14 18:10:49 UTC

Accession Number

CHEM002407

Identification

Common Name

Chlophedianol

Class

Small Molecule

Description

Chlophedianol is only found in individuals that have used or taken this drug. It is a centrally-acting cough suppressant available in Canada under the trade name Ulone. It is not available in the United States. Chlophedianol suppresses the cough reflex by a direct effect on the cough center in the medulla of the brain.

Contaminant Sources

HMDB Contaminants - Urine
STOFF IDENT Compounds
T3DB toxins
ToxCast & Tox21 Chemicals

Contaminant Type

Amine
Anesthetic, Local
Antitussive Agent
Drug
Histamine Antagonist
Metabolite
Organic Compound
Organochloride
Synthetic Compound

Chemical Structure

MOL SDF 3D SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
Clofedanolum	ChEBI
Antitussin	Kegg
Chlophendianol hydrochloride	HMDB
2-Chloro-alpha-(2-dimethylaminoethyl)benzhydrol	HMDB
Baltix	HMDB
Clofedanol hydrochloride	HMDB
1-(2-Chlorophenyl)-3-(dimethylamino)-1-phenyl-1-propanol	HMDB
1-Phenyl-1-(O-chlorophenyl)-3-dimethylaminopropanol	HMDB
2-Chloro-alpha-(2-(dimethylamino)ethyl)benzhydrol	HMDB
alpha-(Dimethylaminoethyl)-O-chlorobenzhydrol	HMDB
Chlofedanol	HMDB
Clofedano	HMDB
Clofedanol	HMDB
Clophedianol base	HMDB
1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone	HMDB
Carfenazina	HMDB
Carfenazine	HMDB
Carfenazinum	HMDB
Carphenazin	HMDB
2-(ACETYLOXY)benzoIC ACID	HMDB
2-Acetoxybenzenecarboxylic acid	HMDB
2-Acetoxybenzoic acid	HMDB
Acetylsalicylate	HMDB
Acetylsalicylsaeure	HMDB
Acide 2-(acetyloxy)benzoique	HMDB
Acide acetylsalicylique	HMDB
Acido acetilsalicilico	HMDB
Acidum acetylsalicylicum	HMDB
ASA	HMDB
Azetylsalizylsaeure	HMDB
Easprin	HMDB
O-Acetoxybenzoic acid	HMDB
O-Acetylsalicylic acid	HMDB
O-Carboxyphenyl acetate	HMDB
Salicylic acid acetate	HMDB
Acetylsalicylic acid	HMDB
Aspalon	HMDB
Durlaza	HMDB
2-(ACETYLOXY)benzoate	HMDB
2-Acetoxybenzenecarboxylate	HMDB
2-Acetoxybenzoate	HMDB
O-Acetoxybenzoate	HMDB
O-Acetylsalicylate	HMDB
O-Carboxyphenyl acetic acid	HMDB
Salicylate acetate	HMDB
Salicylic acid acetic acid	HMDB
2-Carboxyphenyl acetate	HMDB
Acenterine	HMDB
Acetard	HMDB
Aceticyl	HMDB
Acetol	HMDB
Acetonyl	HMDB
Acetophen	HMDB
Acetosal	HMDB
Acetosalin	HMDB
Acetylin	HMDB
Acetyonyl	HMDB
Acetysal	HMDB
Acetysalicylic acid	HMDB
Acylpyrin	HMDB
Asatard	HMDB
Aspergum	HMDB
Aspirdrops	HMDB
Benaspir	HMDB
Bialpirinia	HMDB
Bufferin	HMDB
Caprin	HMDB
Cardioaspirina	HMDB
Ecolen	HMDB
Ecotrin	HMDB
Empirin	HMDB
Endosprin	HMDB
Endydol	HMDB
O-(Acetyloxy)benzoate	HMDB
O-(Acetyloxy)benzoic acid	HMDB
Persistin	HMDB
Pharmacin	HMDB
Polopiryna	HMDB
Premaspin	HMDB
Rheumintabletten	HMDB
Rhodine	HMDB
Salcetogen	HMDB
Saletin	HMDB
Salospir	HMDB
Solprin	HMDB
Solprin acid	HMDB
Solpyron	HMDB
Tasprin	HMDB
Temperal	HMDB
Toldex	HMDB
Triaminicin	HMDB
Magnecyl	HMDB
Polopirin	HMDB
Solupsan	HMDB
Zorprin	HMDB
Dispril	HMDB
Aloxiprimum	HMDB
Colfarit	HMDB
Micristin	HMDB
Acid, acetylsalicylic	HMDB
Chlophedianol	ChEBI

Chemical Formula

C₁₇H₂₀ClNO

Average Molecular Mass

289.800 g/mol

Monoisotopic Mass

289.123 g/mol

CAS Registry Number

791-35-5

IUPAC Name

1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol

Traditional Name

baltix

SMILES

CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl

InChI Identifier

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

InChI Key

WRCHFMBCVFFYEQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylmethanes

Direct Parent

Diphenylmethanes

Alternative Parents

Substituents

Diphenylmethane
Chlorobenzene
Aralkylamine
Halobenzene
Aryl chloride
Aryl halide
1,3-aminoalcohol
Tertiary alcohol
Tertiary aliphatic amine
Tertiary amine
Organic nitrogen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Organooxygen compound
Aromatic alcohol
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Amine
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Membrane

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	120°C
Boiling Point	Not Available
Solubility	6.21e-02 g/L

Predicted Properties

Property	Value	Source
Water Solubility	0.062 g/L	ALOGPS
logP	3.51	ALOGPS
logP	3.46	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	13.18	ChemAxon
pKa (Strongest Basic)	8.87	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	23.47 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	84.94 m³·mol⁻¹	ChemAxon
Polarizability	31.25 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Toxicity Profile

Route of Exposure

Oral

Mechanism of Toxicity

Suppresses the cough reflex by a direct effect on the cough center in the medulla of the brain.

Metabolism

Hepatic.

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Uses/Sources

Used in the treatment of dry cough.

Minimum Risk Level

Not Available

Health Effects

May have anticholinergic effects at high doses.

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB04837

HMDB ID

HMDB0015585

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Lorenz, R., Gosswald, R. and Henecka, H.; US. Patent 3,031,377; April 24, 1962; assigned
to Farbenfabriken Bayer AG, Germany.

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=14478530

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=29438107

Chlophedianol (CHEM002407)

Structure for CHEM002407: Chlophedianol