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CHEBI:3419 - carisoprodol

ChEBI IDCHEBI:3419
ChEBI Namecarisoprodol
Stars
DefinitionA carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm.
Secondary ChEBI IDCHEBI:330249
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H24N2O4
Net Charge0
Average Mass260.334
Monoisotopic Mass260.17361
SMILESCCCC(C)(COC(N)=O)COC(=O)NC(C)C
InChIInChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
InChIKeyOFZCIYFFPZCNJE-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)
carisoprodol (CHEBI:3419) has role muscle relaxant (CHEBI:51371)
carisoprodol (CHEBI:3419) is a carbamate ester (CHEBI:23003)
Incoming Relation(s)
(R)-carisoprodol (CHEBI:59334) is a carisoprodol (CHEBI:3419)
(S)-carisoprodol (CHEBI:59336) is a carisoprodol (CHEBI:3419)
IUPAC Name 
2-[(carbamoyloxy)methyl]-2-methylpentyl propan-2-ylcarbamate
INNs  Source
carisoprodolChemIDplus
carisoprodolumChemIDplus
carisoprodolWHO MedNet
carisoprodolWHO MedNet
Synonyms  Source
CarisoprodolKEGG COMPOUND
carbamic acid 2-isopropylcarbamoyloxymethyl-2-methyl-pentyl esterChEMBL
(±)-2-methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamateChemIDplus
(1-methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl esterChemIDplus
2-methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamateChemIDplus
2-methyl-2-propyltrimethylene carbamate isopropylcarbamateChEBI
Manual XrefsDatabases
C07927KEGG COMPOUND
DB00395DrugBank
D00768KEGG DRUG
US2937119Patent
CarisoprodolWikipedia
HMDB0014539HMDB
LSM-5197LINCS
509DrugCentral
Registry NumbersSources
Reaxys:1791537Reaxys
CAS:78-44-4KEGG COMPOUND
CAS:78-44-4ChemIDplus
CAS:78-44-4NIST Chemistry WebBook
Citations