Tubocurarine chloride

Base Information

• Chemical Name: Tubocurarine chloride
• CAS No.: 57-95-4
• Deprecated CAS: 1370-17-8,548-18-5,30519-12-1,31498-75-6,3671-75-8,30519-12-1,31498-75-6,3671-75-8,548-18-5
• Molecular Formula: C37H41 N2 O6
• Molecular Weight: 624.84
• European Community (EC) Number: 200-356-9,615-023-7
• UNII: W9YXS298BM
• DSSTox Substance ID: DTXSID0048393
• Nikkaji Number: J193.260H
• Wikipedia: Tubocurarine_chloride
• Wikidata: Q421268
• NCI Thesaurus Code: C47777,C142997
• Pharos Ligand ID: H5Q7DR5W7A2Z
• Metabolomics Workbench ID: 43414
• ChEMBL ID: CHEMBL339427
• Mol file: 57-95-4.mol

Synonyms:d-Tubocurare;d-Tubocurarine;Tubocurare;Tubocurarine;Tubocurarine Chloride

Chemical Property of Tubocurarine chloride

Chemical Property:

• Refractive Index: 1.5300 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 80.62000
• Density: g/cm³
• LogP: 6.59770
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 609.29646203
• Heavy Atom Count: 45
• Complexity: 990

Purity/Quality:

98%min ^*data from raw suppliers

TUBOCURARINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC
• Isomeric SMILES: CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC