cyclobenzaprine   

GtoPdb Ligand ID: 7152

Synonyms: Amrix® | Fexmid | MK-130
cyclobenzaprine is an approved drug (FDA (1977))
Compound class: Synthetic organic
Comment: Cyclobenzaprine is a tricyclic antidepressant similar to amitriptyline. It acts as a skeletal muscle relaxant and central nervous system (CNS) depressant.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 3.24
Molecular weight 275.17
XLogP 5.21
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CN(CCC=C1c2ccccc2C=Cc2c1cccc2)C
Isomeric SMILES CN(CCC=C1c2ccccc2C=Cc2c1cccc2)C
InChI InChI=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
InChI Key JURKNVYFZMSNLP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1977))
IUPAC Name
3-(dibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine
International Nonproprietary Names
INN number INN
791 cyclobenzaprine
Synonyms
Amrix® | Fexmid | MK-130
Database Links
CAS Registry No. 303-53-7
ChEMBL Ligand CHEMBL669
DrugBank Ligand DB00924
DrugCentral Ligand 751
GtoPdb PubChem SID 178103727
PubChem CID 2895
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Wikipedia Cyclobenzaprine