CHEBI:3643 - chlorphenesin carbamate

ChEBI IDCHEBI:3643
ChEBI Namechlorphenesin carbamate
Stars
DefinitionThe carbamate ester of the primary hydroxy group of chlorphenesin. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm.
Last Modified22 February 2017
DownloadsMolfile
FormulaC10H12ClNO4
Net Charge0
Average Mass245.662
Monoisotopic Mass245.04549
SMILESNC(=O)OCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)
InChIKeySKPLBLUECSEIFO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
chlorphenesin carbamate (CHEBI:3643) has functional parent carbamic acid (CHEBI:28616)
chlorphenesin carbamate (CHEBI:3643) has functional parent chlorphenesin (CHEBI:3642)
chlorphenesin carbamate (CHEBI:3643) has role muscle relaxant (CHEBI:51371)
chlorphenesin carbamate (CHEBI:3643) is a carbamate ester (CHEBI:23003)
chlorphenesin carbamate (CHEBI:3643) is a monochlorobenzenes (CHEBI:83403)
chlorphenesin carbamate (CHEBI:3643) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
3-(4-chlorophenoxy)-2-hydroxypropyl carbamate
Synonyms  Source
1,2-propanediol-3-(p-chlorophenoxy)-1-carbamateChEBI
3-(4-chlorophenoxy)-1,2-propanediol-1-carbamateChemIDplus
3-(p-chlorophenoxy)-1,2-propanediol 1-carbamateChemIDplus
3-(p-chlorophenoxy)-2-hydroxypropyl carbamateChemIDplus
carbamic acid 3-(p-chlorophenoxy)-2-hydroxypropyl esterChEBI
Chlorphenesin carbamateKEGG COMPOUND
Manual XrefsDatabases
614DrugCentral
C07930KEGG COMPOUND
ChlorphenesinWikipedia
D00770KEGG DRUG
LSM-1516LINCS
US3161567Patent
US3214336Patent
Registry NumbersSources
Beilstein:1978575Beilstein
CAS:886-74-8ChemIDplus
CAS:886-74-8KEGG COMPOUND