CHEBI:3642 - chlorphenesin

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ChEBI Name chlorphenesin
ChEBI ID CHEBI:3642
Definition Glycerol in which the hydrogen of one of the primary hydroxy groups is substituted by a 4-chlorophenyl group. It has antifungal and antibacterial properties, and is used for treatment of cutaneous and vaginal infections. Its 1-carbamate is used as a skeletal muscle relaxant for the treatment of painful muscle spasm.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:704618, CHEBI:480431
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Formula C9H11ClO3
Net Charge 0
Average Mass 202.63500
Monoisotopic Mass 202.040
InChI InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2
InChIKey MXOAEAUPQDYUQM-UHFFFAOYSA-N
SMILES OCC(O)COc1ccc(Cl)cc1
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
Application(s): muscle relaxant
A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
antibacterial drug
A drug used to treat or prevent bacterial infections.
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
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ChEBI Ontology
Outgoing chlorphenesin (CHEBI:3642) has role antibacterial drug (CHEBI:36047)
chlorphenesin (CHEBI:3642) has role antifungal drug (CHEBI:86327)
chlorphenesin (CHEBI:3642) has role muscle relaxant (CHEBI:51371)
chlorphenesin (CHEBI:3642) is a glycol (CHEBI:13643)
chlorphenesin (CHEBI:3642) is a monochlorobenzenes (CHEBI:83403)
chlorphenesin (CHEBI:3642) is a propane-1,2-diols (CHEBI:26284)
Incoming chlorphenesin carbamate (CHEBI:3643) has functional parent chlorphenesin (CHEBI:3642)
(R)-chlorphenesin (CHEBI:59479) is a chlorphenesin (CHEBI:3642)
(S)-chlorphenesin (CHEBI:59480) is a chlorphenesin (CHEBI:3642)
IUPAC Name
3-(4-chlorophenoxy)propane-1,2-diol
INNs Sources
chlorphenesin ChemIDplus
chlorphénésine WHO MedNet
chlorphenesinum ChemIDplus
clorfenesina ChemIDplus
Synonyms Sources
3-(4-chlorophenoxy)-1,2-propanediol ChEBI
3-(p-chlorophenoxy)-1,2-propanediol ChemIDplus
3-(p-chlorophenoxy)propane-1,2-diol NIST Chemistry WebBook
chlorphenesin ChEMBL
Chlorphenesin KEGG COMPOUND
glycerol α-p-chlorophenyl ether ChemIDplus
p-chlorophenyl-α-glyceryl ether NIST Chemistry WebBook
Manual Xrefs Databases
C07928 KEGG COMPOUND
Chlorphenesin Wikipedia
DB00856 DrugBank
GB628497 Patent
US2468423 Patent
View more database links
Registry Numbers Types Sources
104-29-0 CAS Registry Number ChemIDplus
2210845 Beilstein Registry Number Beilstein
2210845 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17178228 PubMed citation ChEMBL
Last Modified
09 July 2015