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CHEBI:3642 - chlorphenesin

Default Structure
ChEBI IDCHEBI:3642
ChEBI Namechlorphenesin
Stars
DefinitionGlycerol 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.
Secondary ChEBI IDsCHEBI:480431, CHEBI:704618
Last Modified9 July 2015
DownloadsMolfile
FormulaC9H11ClO3
Net Charge0
Average Mass202.637
Monoisotopic Mass202.03967
SMILESOCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2
InChIKeyMXOAEAUPQDYUQM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antibacterial drug  A drug used to treat or prevent bacterial infections.
Applications:
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.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
chlorphenesinChemIDplus
chlorphénésineWHO MedNet
chlorphenesinumChemIDplus
clorfenesinaChemIDplus
Synonyms  Source
3-(4-chlorophenoxy)-1,2-propanediolChEBI
3-(p-chlorophenoxy)-1,2-propanediolChemIDplus
3-(p-chlorophenoxy)propane-1,2-diolNIST Chemistry WebBook
chlorphenesinChEMBL
ChlorphenesinKEGG COMPOUND
p-chlorophenyl-α-glyceryl etherNIST Chemistry WebBook
Manual XrefsDatabases
C07928KEGG COMPOUND
ChlorphenesinWikipedia
DB00856DrugBank
GB628497Patent
US2468423Patent
Registry NumbersSources
Reaxys:2210845Reaxys
CAS:104-29-0ChemIDplus
CAS:104-29-0KEGG COMPOUND
Citations