Molecular Identity
Cyclobenzaprine
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine
PubChem CID: 2895
Cyclobenzaprine is 5-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. It has a role as an antidepressant, a tranquilizing drug and a muscle relaxant. It derives from a hydride of a dibenzo[a,d][7]annulene.
2D Structure
Properties
C20H21N
Molecular Formula
275.40
Molecular Weight
g/mol
275.1674
Exact Mass
Da
5.2
XLogP
Above Lipinski threshold
3.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
365
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31Isomeric SMILES
SMILES: CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31Synonyms(20)
cyclobenzaprine303-53-7ProheptatrieneProheptatrienCiclobenzaprinaProeptatrieneLisserilFexmidCyclobenzaprinum10,11-Dehydroamitriptyline3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine69O5WQQ5TIMK-130MK-130 (AS THE BASE)5-(3-Dimetilaminopropiliden)-5H-dibenzo-(a,d)-ciclopentene
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cyclobenzaprine
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