Metocurine

Base Information

• Chemical Name: Metocurine
• CAS No.: 5152-30-7
• Molecular Formula: C40H48 N2 O6
• Molecular Weight: 652.90
• UNII: V0M92G2U26
• DSSTox Substance ID: DTXSID0048262
• Nikkaji Number: J96.562F
• Wikipedia: Metocurine
• Wikidata: Q6824186
• NCI Thesaurus Code: C76069
• Pharos Ligand ID: JNKVYWJG7C8S
• Metabolomics Workbench ID: 43502
• ChEMBL ID: CHEMBL1259
• Mol file: 5152-30-7.mol

Synonyms:dimethyl dl-curine dimethochloride;dimethyl-L-curine dimethochloride;dimethyl-L-curine dimethoiodide;dimethylchondrocurarine;dimethylcurarine dimethochloride;dimethylcurine;DMCDM;metocurine;metocurine dichloride;metocurine dichloride(1alpha)-isomer;metocurine dichloride, (1'alpha)-isomer;metocurine dichloride, (1beta)-(+-)-isomer;metocurine dihydroxide;metocurine diiodide;metocurine diiodide, (1beta)-(+-)-isomer;metocurine diiodide, (1beta)-isomer;metocurine iodide;metocurine, (1'alpha)-isomer;metocurine, (1beta)-isomer;Metubine

Chemical Property of Metocurine

Chemical Property:

• Vapor Pressure: 2.95E-09mmHg at 25°C
• Refractive Index: 1.598
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 55.38000
• Density: g/cm³
• LogP: 7.36920
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 652.35123726
• Heavy Atom Count: 48
• Complexity: 1060

Purity/Quality:

99% ^*data from raw suppliers

METOCURINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C
• Isomeric SMILES: C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C
• Uses: Metocurine is used for the same indications as tubocurarine. A synonym of this drug is metubine.