methocarbamol   Click here for help

GtoPdb Ligand ID: 6829

Synonyms: Robaxin®
Approved drug
methocarbamol is an approved drug (FDA (1957))
Compound class: Synthetic organic
Comment: Methocarbamol is the carbamate of guaifenesin, but the carbamate bond is not metabolically hydrolysed, so guaifenesin is not a metabolite of methocarbamol. Methocarbamol has reduced abuse potential compared to other carbamate drugs such as meprobamate and its prodrug carisoprodol.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 91.01
Molecular weight 241.1
XLogP 0.07
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccccc1OCC(COC(=O)N)O
Isomeric SMILES COc1ccccc1OCC(COC(=O)N)O
InChI InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1957))
IUPAC Name Click here for help
2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate
International Nonproprietary Names Click here for help
INN number INN
776 methocarbamol
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 532-03-6
ChEMBL Ligand CHEMBL1201117
DrugBank Ligand DB00423
DrugCentral Ligand 1747
GtoPdb PubChem SID 178103435
PubChem CID 4107
Search Google for chemical match using the InChIKey GNXFOGHNGIVQEH-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey GNXFOGHNGIVQEH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GNXFOGHNGIVQEH-UHFFFAOYSA-N
Wikipedia Methocarbamol