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CHEBI:3996 - cyclobenzaprine

ChEBI IDCHEBI:3996
ChEBI Namecyclobenzaprine
Stars
Definition5-Methylidene-5H-dibenzo[a,d]cycloheptene in which one of the hydrogens of the methylidene group is substituted by a 2-(dimethylamino)ethyl group. A centrally acting skeletal muscle relaxant, it is used as its hydrochloride salt in the symptomatic treatment of painful muscle spasm.
Secondary ChEBI IDCHEBI:128119
Last Modified12 October 2022
DownloadsMolfile
FormulaC20H21N
Net Charge0
Average Mass275.395
Monoisotopic Mass275.16740
SMILESCN(C)CCC=C1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C20H21N/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
InChIKeyJURKNVYFZMSNLP-UHFFFAOYSA-N
Wikipedia
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.
tranquilizing drug  A traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behaviour.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
cyclobenzaprine (CHEBI:3996) has parent hydride dibenzo[a,d][7]annulene (CHEBI:35642)
cyclobenzaprine (CHEBI:3996) has role antidepressant (CHEBI:35469)
cyclobenzaprine (CHEBI:3996) has role muscle relaxant (CHEBI:51371)
cyclobenzaprine (CHEBI:3996) has role tranquilizing drug (CHEBI:35473)
cyclobenzaprine (CHEBI:3996) is a carbotricyclic compound (CHEBI:38032)
Incoming Relation(s)
cyclobenzaprine hydrochloride (CHEBI:3997) has part cyclobenzaprine (CHEBI:3996)
IUPAC Names 
3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine
3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine
INNs  Source
cyclobenzaprineChemIDplus
ciclobenzaprinaChemIDplus
cyclobenzaprinumChemIDplus
Synonyms  Source
CyclobenzaprineKEGG COMPOUND
(3-Dibenzo[a,d]cyclohepten-5-ylidene-propyl)-dimethyl-amineChEMBL
N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-Δ5,γ-propylamineNIST Chemistry WebBook
Manual XrefsDatabases
C06931KEGG COMPOUND
D07758KEGG DRUG
DB00924DrugBank
GB858187Patent
CyclobenzaprineWikipedia
LSM-5537LINCS
751DrugCentral
Registry NumbersSources
Beilstein:2126383Beilstein
CAS:303-53-7KEGG COMPOUND
CAS:303-53-7NIST Chemistry WebBook
Citations