Methocarbamol

Base Information

• Chemical Name: Methocarbamol
• CAS No.: 532-03-6
• Deprecated CAS: 145308-03-8
• Molecular Formula: C11H15NO5
• Molecular Weight: 241.244
• Hs Code.: 29222990
• European Community (EC) Number: 208-524-3,927-845-6
• NSC Number: 757112,170960
• UNII: 125OD7737X
• DSSTox Substance ID: DTXSID6023286
• Nikkaji Number: J2.065F
• Wikipedia: Methocarbamol
• Wikidata: Q411456
• NCI Thesaurus Code: C29252
• RXCUI: 6845
• Pharos Ligand ID: CZRZJS9SN4V8
• Metabolomics Workbench ID: 42783
• ChEMBL ID: CHEMBL1201117
• Mol file: 532-03-6.mol

Synonyms:Carbamate, Guaiphenesin;Guaiphenesin Carbamate;Lumirelax;Methocarbamol;Ortoton;Parabaxin;Robaxin

Chemical Property of Methocarbamol

Chemical Property:

• Melting Point: 95-97oC
• Refractive Index: 1.57
• Boiling Point: 472.5 °C at 760 mmHg
• PKA: 13.08±0.20(Predicted)
• Flash Point: 239.6 °C
• PSA: 91.01000
• Density: 1.256 g/cm³
• LogP: 1.23050
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 241.09502258
• Heavy Atom Count: 17
• Complexity: 236

Purity/Quality:

≥99.0% ^*data from raw suppliers

Methocarbamol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-42/43
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Drug Classes: Autonomic Agents: Muscle Relaxants, Central
• Canonical SMILES: COC1=CC=CC=C1OCC(COC(=O)N)O
• Recent ClinicalTrials: A Phase 3 Study of F14 for Management of Pain Following Total Knee Replacement
• Recent EU Clinical Trials: Evaluation of the effectiveness of Methocarbamol in the treatment of
• Uses: For use as an adjunct to rest, physical therapy, and other measures for the relief of discomforts associated with acute, painful musculoskeletal conditions. Methocarbamol suppresses multisynaptic pathways in the spinal cord. It is used for relieving spasms and skeletal muscle pain as well as for treating tetanus. Synonyms of this drug are delaxin, forbaxin, robamol, robaxin, and tresortil.
• Therapeutic Function: Muscle relaxant

Technology Process of Methocarbamol

There total 13 articles about Methocarbamol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

rac-4-(2-methoxyphenoxymethyl)-[1,3]dioxolan-2-one (2049-21-0) → methocarbamol (532-03-6,108914-10-9,145841-69-6)

Guidance literature:

With ammonium hydroxide; at 40 ℃; for 6h;

Reference yield:

1-benzyloxy-2-carbamoyloxy-3-(2-methoxy-phenoxy)-propane (93950-95-9) → methocarbamol (532-03-6,108914-10-9,145841-69-6)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C

2: aq. NH₃

With ammonium hydroxide; hydrogen; palladium on activated charcoal;

DOI:10.1007/BF00900262

Reference yield:

1-benzyloxy-3-(2-methoxy-phenoxy)-propan-2-ol (93728-27-9) → methocarbamol (532-03-6,108914-10-9,145841-69-6)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) Et₃N, (ii) NH₃

2: H₂ / Pd-C

3: aq. NH₃

With ammonium hydroxide; hydrogen; palladium on activated charcoal;

DOI:10.1007/BF00900262

upstream raw materials:

1-Carbaminoyloxy-2-benzyloxy-3-(2-methoxy-phenoxy)-propan

3-(2-methoxyphenoxy)propanediol 2-carbamate

1-Acetoxy-2-carbaminoyloxy-3-(2-methoxy-phenoxy)-propan

rac-4-(2-methoxyphenoxymethyl)-[1,3]dioxolan-2-one

Downstream raw materials:

guaifenesin

3-(2-methoxyphenoxy)propanediol 2-carbamate

Refernces