EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3997 - cyclobenzaprine hydrochloride

Default Structure
ChEBI IDCHEBI:3997
ChEBI Namecyclobenzaprine hydrochloride
Stars
DefinitionThe hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm.
Last Modified14 July 2014
DownloadsMolfile
FormulaC20H21N.HCl
Net Charge0
Average Mass311.856
Monoisotopic Mass311.14408
SMILESCN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl
InChIInChI=1S/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H
InChIKeyVXEAYBOGHINOKW-UHFFFAOYSA-N
Roles Classification
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.
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
cyclobenzaprine hydrochloride (CHEBI:3997) has parent hydride dibenzo[a,d][7]annulene (CHEBI:35642)
cyclobenzaprine hydrochloride (CHEBI:3997) has part cyclobenzaprine (CHEBI:3996)
cyclobenzaprine hydrochloride (CHEBI:3997) has role antidepressant (CHEBI:35469)
cyclobenzaprine hydrochloride (CHEBI:3997) has role antispasmodic drug (CHEBI:53784)
cyclobenzaprine hydrochloride (CHEBI:3997) has role muscle relaxant (CHEBI:51371)
cyclobenzaprine hydrochloride (CHEBI:3997) is a hydrochloride (CHEBI:36807)
IUPAC Names 
3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride
3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride
Synonyms  Source
cyclobenzaprine HClChemIDplus
N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-Δ5,γ-propylamine hydrochlorideChemIDplus
MK-130 [AS THE BASE]ChEMBL
MK-130 HYDROCHLORIDEChEMBL
NSC-169900ChEMBL
NSC-173379ChEMBL
Brand Names  Source
AmrixChEMBL
FlexerilChEMBL
Manual XrefsDatabases
D00772KEGG DRUG
DB00924DrugBank
FR2100873Patent
Registry NumbersSources
Beilstein:6247987Beilstein
CAS:6202-23-9KEGG DRUG
CAS:6202-23-9ChemIDplus
Citations