CHEBI:3997 - cyclobenzaprine hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyclobenzaprine hydrochloride
ChEBI ID CHEBI:3997
Definition The hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H22ClN
Net Charge 0
Average Mass 311.84800
Monoisotopic Mass 311.14408
InChI InChI=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
InChIKey VXEAYBOGHINOKW-UHFFFAOYSA-N
SMILES Cl.CN(C)CCC=C1c2ccccc2C=Cc2ccccc12
Roles Classification
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.
antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
cyclobenzaprine HCl ChemIDplus
N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-Δ5,γ-propylamine hydrochloride ChemIDplus
Manual Xrefs Databases
D00772 KEGG DRUG
DB00924 DrugBank
FR2100873 Patent
View more database links
Registry Numbers Types Sources
6202-23-9 CAS Registry Number ChemIDplus
6202-23-9 CAS Registry Number KEGG DRUG
6247987 Beilstein Registry Number Beilstein
Last Modified
14 July 2014