Tabernaemontanin hydrochloride

Base Information

• Chemical Name: Tabernaemontanin hydrochloride
• CAS No.: 71339-12-3
• Molecular Formula: C21H27ClN2O3
• Molecular Weight: 390.9037
• DSSTox Substance ID: DTXSID00991666

Synonyms:Tabernaemontanin hydrochloride;20-Epidregamine hydrochloride;(-)-Tabernemontanine hydrochloride;Tabernaemontanine chlorhydrate [French];Tabernaemontanine chlorhydrate;(20-beta)-19,20-Dihydro-3-oxovobasan-17-oic acid methyl ester hydrochloride;Vobasan-17-oic acid, 19,20-dihydro-3-oxo-, methyl ester, hydrochloride, (20-beta)-;71339-12-3;DTXSID00991666;LS-162296;Methyl 3-oxo-19,20-dihydrovobasan-17-oate--hydrogen chloride (1/1)

Chemical Property of Tabernaemontanin hydrochloride

Chemical Property:

• Vapor Pressure: 9.47E-11mmHg at 25°C
• Boiling Point: 515.9°Cat760mmHg
• Flash Point: 265.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 390.1710204
• Heavy Atom Count: 27
• Complexity: 566

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C.Cl
• Isomeric SMILES: CC[C@@H]1CN([C@H]2CC3=C(C(=O)CC1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C.Cl

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