chlorphenesin (CHEBI:3642)

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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

Average Mass

202.63500

Monoisotopic Mass

202.03967

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.

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

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

Citation	Type	Source
17178228	PubMed citation	ChEMBL

Last Modified

09 July 2015