ChemicalBook--->CAS DataBase List--->5956-60-5

5956-60-5

5956-60-5 Structure

5956-60-5 Structure
IdentificationBack Directory
[Name]

BERBERINE CHLORIDE DIHYDRATE
[CAS]

5956-60-5
[Synonyms]

LABOTEST-BB LT00455102
Testosterone Undecylate
BERBERINE CHLORIDE DIHYDRATE
BERBERINE CHLORIDE 2-HYDRATE
BERBERINIUM CHLORIDE DIHYDRATE
Berberine hydrochloride bihydrate
3-benzodioxolo(5,6-a)quinolizinium,5,6-dihydro-9,10-dimethoxy-benzo(g)-chl
5,6-dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinoliziniumchlor
5,6-Dihydro-9,10-dimethoxybenzo(G)-1,3-benzodioxolo(5,6-A)quinolizinium chloride dihydrate
Benzo(G)-1,3-benzodioxolo(5,6-A)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, dihydrate
[EINECS(EC#)]

211-195-9
[Molecular Formula]

C20H22ClNO6
[MDL Number]

MFCD00149998
[MOL File]

5956-60-5.mol
[Molecular Weight]

407.84
Chemical PropertiesBack Directory
[Melting point ]

204-206 °C (dec.)
[color ]

Yellow crystalline material
[InChI]

InChI=1S/C20H18NO4.ClH.2H2O/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;;;/h3-4,7-10H,5-6,11H2,1-2H3;1H;2*1H2/q+1;;;/p-1
[InChIKey]

NWMNHQUPWGJEKI-UHFFFAOYSA-M
[SMILES]

C12C=C3C(C(OC)=C(OC)C=C3)=C[N+]=1CCC1=CC3OCOC=3C=C21.O.O.[Cl-]
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

2
[RTECS ]

DR9866400
[F ]

3-10
[Toxicity]

LD50 ipr-rat: 138 mg/kg KSRNAM 8,654,74
Hazard InformationBack Directory
[Purification Methods]

Berberine chloride crystallises from water to give the dihydrate. The anhydrous salt may be obtained by recrystallisation from EtOH/Et2O, wash the crystals with Et2O and dry them in a vacuum. The iodide has m 250o(dec) (from EtOH). [Perkin J Chem Soc 113 503 1918, Kametani et al. J Chem Soc(C) 2036 1969, Beilstein 27 I 515, 27 II 567.]
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