orphenadrine   Click here for help

GtoPdb Ligand ID: 7251

Synonyms: Invagesic®
Approved drug
orphenadrine is an approved drug (FDA (1957))
Compound class: Synthetic organic
Comment: Orphenadrine is a muscle relaxant.
Marketed formulations contain the citrate salt (PubChem CID 83823) or the hydrochloride (PubChem CID 9568)..
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 269.18
XLogP 3.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCOC(c1ccccc1C)c1ccccc1)C
Isomeric SMILES CN(CCOC(c1ccccc1C)c1ccccc1)C
InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
InChI Key QVYRGXJJSLMXQH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1957))
IUPAC Name Click here for help
dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine
International Nonproprietary Names Click here for help
INN number INN
658 orphenadrine
Synonyms Click here for help
Invagesic®
Database Links Click here for help
BitterDB Ligand 130
CAS Registry No. 83-98-7
ChEMBL Ligand CHEMBL900
DrugBank Ligand DB01173
DrugCentral Ligand 1999
GtoPdb PubChem SID 178103825
PubChem CID 4601
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Wikipedia Orphenadrine