METHOCARBAMOL

Search structure
Trade Names:
Synonyms:
Status: Approved (1957)
Entry Type: Small molecule
Molecule Category: Parent
ATC: M03BA03
UNII: 125OD7737X

Structure
InChI Key GNXFOGHNGIVQEH-UHFFFAOYSA-N
Smile COc1ccccc1OCC(O)COC(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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO5
Molecular Weight 241.24
AlogP 0.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 91.01
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Carbonic anhydrase I inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Cirrhosis 3 D008103 ClinicalTrials
Pain 3 D010146 ClinicalTrials

Related Entries

MCS

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.87
Gastrointestinal disorders
14.79
Nervous system disorders
10.48
Psychiatric disorders
9.4
Injury, poisoning and procedural complications
9.09
Musculoskeletal and connective tissue disorders
5.86
Respiratory, thoracic and mediastinal disorders
4.78
Vascular disorders
4.78
Cardiac disorders
4.62
Eye disorders
3.24
Immune system disorders
3.08
Skin and subcutaneous tissue disorders
2.77
Product issues
2.77
Social circumstances
2.16

Cross References

Resources Reference
CAS NUMBER 532-03-6
ChEBI 77498
ChEMBL CHEMBL1201117
DrugBank DB00423
DrugCentral 1747
EPA CompTox DTXSID6023286
FDA SRS 125OD7737X
Human Metabolome Database HMDB0014567
Guide to Pharmacology 6829
PharmGKB PA164749506
PubChem 4107
SureChEMBL SCHEMBL34365
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