Methocarbamol

HCID 4107CAS 532-03-6

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Basic information

Standard SMILES: COc1ccccc1OCC(O)COC(N)=O
InChIKey: GNXFOGHNGIVQEH-UHFFFAOYSA-N
Molecular formula: C11H15NO5
Average molar mass: 241.243 g/mol
Monoisotopic mass: 241.09502258

Names & identifiers

Preferred name: Methocarbamol
IUPAC: 2-Hydroxy-3-(2-methoxyphenoxy)propyl carbamate
English name: Methocarbamol
Molecular formula: C11H15NO5
Molecular weight: 241.24

Names & synonyms

MetocarbamolRelaxMETHOCARBAMOL USP2-Hydroxy-3-(2-methoxyphenoxy)propyl carbamateDelaxinRobaxinMethocarbaMoMetocarbamoloahr85AHR 85

Database identifiers

CAS: 532-03-6
PubChem CID: 4107
DTXSID: DTXSID6023286
ChEMBL: CHEMBL1201117
ChEBI: CHEBI:77498
UNII: 125OD7737X
EC Number: 208-524-3、927-845-6
Nikkaji: J2.065F

Properties

Physicochemical properties

Melting point: 95 · 95-97°C
Boiling point: 384.01 °C · 384.01°C (rough estimate)
Density: 1.2611 · 1.2611 (rough estimate)
refractive index: 1.508 · 1.5080 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 13.08 · 13.08±0.20(Predicted)
color: White to Off-White
Merck: 14 · 14,5980
Henry's Law Constant: 1.5 · 1.5×1010 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application: clinical testing
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)
InChIKey: GNXFOGHNGIVQEH-UHFFFAOYSA-N
SMILES: C(OC(=O)N)C(O)COC1=CC=CC=C1OC
CAS DataBase Reference: 532 · 532-03-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 125 OD7737X · 125OD7737X
ATC code: 3 BA03 · M03BA03
NIST Chemistry Reference: Methocarbamol(532-03-6)
EPA Substance Registry System: Methocarbamol (532-03-6)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302-H317-H334
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352
Hazard Codes: Xn
Risk Statements: 22 · 22-42/43
Safety Statements: 36 · 36
WGK Germany: 3 · 3
RTECS: 8750000 · TY8750000
TSCA: TSCA listed
HS Code: 29222990 · 29222990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
Hazardous Substances Data: 532 · 532-03-6(Hazardous Substances Data)

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
rtecs: TY8750000
hs_code: 29222990
risk_code: 22-42/43
Signal word: Danger
Symbol(GHS): GHS07,GHS08
hazard_code: Xn
safety_code: 36
Storage Class: 3 - Flammable liquids
Hazard statements: H302-H317-H334
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
Precautionary statements: P280-P301+P312+P330-P302+P352
Hazardous Substances Data: 532-03-6(Hazardous Substances Data)

Chemistry & industry

Applications · 4 items

UsesMethocarbamol 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.

UsesFor use as an adjunct to rest, physical therapy, and other measures for the relief of discomforts associated with acute, painful musculoskeletal conditions.

UsesA muscle relaxant (skeletal).

General DescriptionMethocarbamol, 3-(o-methoxyphenoxy)-1,2-propanediol 1-carbamate (Robaxin), issaid to be more sustained in effect than mephenesin. Likelysites for metabolic attack include the secondary hydroxylgroup and the two ring positions opposite the ether functions.The dihydric parent compound, guaifenesin, is used asan expectorant.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate is a carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester. It is a carbamate ester, a secondary alcohol and an aromatic ether.

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