Bendacalol mesylate

Base Information

• Chemical Name: Bendacalol mesylate
• CAS No.: 81737-62-4
• Molecular Formula: C21H27NO9S
• Molecular Weight: 469.5054
• UNII: 5KP3ZO1VLL
• Wikidata: Q27262487
• NCI Thesaurus Code: C79990
• ChEMBL ID: CHEMBL2104689
• Mol file: 81737-62-4.mol

Synonyms:1-(2,3-dihydro-1,4(25)-benzodioxin-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-aza-1,5-pentanediol methanesulfonate;CGS 10078B;CGS-10078-B;CGS-10078B

Chemical Property of Bendacalol mesylate

Chemical Property:

• Vapor Pressure: 3.39E-15mmHg at 25°C
• Boiling Point: 599°Cat760mmHg
• Flash Point: 316.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 469.14065261
• Heavy Atom Count: 32
• Complexity: 518

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)O.C1C(OC2=CC=CC=C2O1)C(CNCC(C3COC4=CC=CC=C4O3)O)O
• Isomeric SMILES: CS(=O)(=O)O.C1[C@@H](OC2=CC=CC=C2O1)[C@H](CNC[C@H]([C@@H]3COC4=CC=CC=C4O3)O)O