Gelsemine, monohydrochloride

Base Information

• Chemical Name: Gelsemine, monohydrochloride
• CAS No.: 35306-33-3
• Molecular Formula: C20H22 N2 O2 . Cl H
• Molecular Weight: 358.86
• European Community (EC) Number: 252-504-7
• DSSTox Substance ID: DTXSID50956740
• Mol file: 35306-33-3.mol

Synonyms:Gelsemine, monohydrochloride;35306-33-3;Gesemine hydrochloride;(2'S,3S,6'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one;hydrochloride;GELSEMINE HYDROCHLORIDE;Gelsemine, hydrochloride;HSDB 3551;EINECS 252-504-7;DTXSID50956740;CCG-208632;LS-71134;3-Ethenyl-1-methyl-2,3,3a,7,8,8a-hexahydro-1H,5H-spiro[3,8,5-(ethane[1,1,2]triyl)oxepino[4,5-b]pyrrole-4,3'-indol]-2'-ol--hydrogen chloride (1/1)

Chemical Property of Gelsemine, monohydrochloride

Chemical Property:

• Vapor Pressure: 7.08E-10mmHg at 25°C
• Melting Point: >300°C
• Boiling Point: 493.4°Cat760mmHg
• Flash Point: 252.2°C
• PSA: 41.57000
• Density: g/cm³
• LogP: 2.90550
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 358.1448057
• Heavy Atom Count: 25
• Complexity: 635

Purity/Quality:

98%,99%, ^*data from raw suppliers

GELSEMINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC2(C3CC4C5(C2C1C3CO4)C6=CC=CC=C6NC5=O)C=C.Cl
• Isomeric SMILES: CN1C[C@@]2([C@@H]3C1C4C2CC([C@@]35C6=CC=CC=C6NC5=O)OC4)C=C.Cl