cyclobenzaprine   Click here for help

GtoPdb Ligand ID: 7152

Synonyms: Amrix® | Fexmid | MK-130
Approved drug
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
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1977))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
791 cyclobenzaprine
Synonyms Click here for help
Amrix® | Fexmid | MK-130
Database Links Click here for help
CAS Registry No. 303-53-7
DrugBank Ligand DB00924
DrugCentral Ligand 751
GtoPdb PubChem SID 178103727
PubChem CID 2895
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UniChem Compound Search for chemical match using the InChIKey JURKNVYFZMSNLP-UHFFFAOYSA-N
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Wikipedia Cyclobenzaprine