Thebaine hydrochloride monohydrate

Base Information

• Chemical Name: Thebaine hydrochloride monohydrate
• CAS No.: 5967-74-8
• Molecular Formula: C19H24ClNO4
• Molecular Weight: 365.85116
• DSSTox Substance ID: DTXSID80208360
• Mol file: 5967-74-8.mol

Synonyms:Thebaine hydrochloride monohydrate;Thebaine HCl hydrate;5967-74-8;Morphinan, 6,7,8,14-tetradehydro-3,6-dimethoxy-4,5-epoxy-17-methyl-, hydrochloride, monohydrate, (5-alpha)-;C19H21NO3.ClH.H2O;DTXSID80208360;C19-H21-N-O3.Cl-H.H2-O;LS-92170;Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, hydrochloride, monohydrate, (5.alpha.)-

Chemical Property of Thebaine hydrochloride monohydrate

Chemical Property:

• Vapor Pressure: 6.4E-09mmHg at 25°C
• Boiling Point: 467.6°C at 760 mmHg
• Flash Point: 141°C
• PSA: 40.16000
• LogP: 3.10010
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 365.1393859
• Heavy Atom Count: 25
• Complexity: 585

Purity/Quality:

THEBAINE HYDROCHLORIDE HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC.O.Cl
• Isomeric SMILES: CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC.O.Cl