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5956-60-5

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Basic Information
CAS No.: 5956-60-5
Name: BERBERINE CHLORIDE DIHYDRATE
Molecular Structure:
Molecular Structure of 5956-60-5 (BERBERINE CHLORIDE DIHYDRATE)
Formula: C20H18 N O4 . Cl . 2 H2 O
Molecular Weight: 407.88
Synonyms: Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, dihydrate (9CI); Berbinium,7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride,dihydrate (8CI); Berberine chloride dihydrate; Berberine hydrochloridebihydrate
Melting Point: 204-206 °C (dec.)
Safety: Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also CHLORIDES.
PSA: 59.26000
LogP: -0.02830
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Chemistry

IUPAC Name: 1-chloro-1-(1-chloroethoxy)ethane
Synonyms of Berberine chloride dihydrate (CAS NO.6986-48-7): 5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride dihydrate ; Berberine hydrochloride bihydrate ; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, dihydrate
CAS NO: 6986-48-7
Molecular Formula of Berberine chloride dihydrate (CAS NO.6986-48-7): C20H22ClNO6
Molecular Weight of Berberine chloride dihydrate (CAS NO.6986-48-7): 407.8448
Molecular Structure:

H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 40.8 Å2
Melting point: 204-206 °C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 654, 1974.
mouse LD50 intravenous 7600ug/kg (7.6mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 654, 1974.
mouse LD50 subcutaneous 13900ug/kg (13.9mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 654, 1974.
rat LD50 intraperitoneal 138mg/kg (138mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 654, 1974.
rat LD50 intravenous 46200ug/kg (46.2mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 654, 1974.
rat LD50 subcutaneous 7970mg/kg (7970mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 654, 1974.

Safety Profile

Safety Statements: 22-24/25 
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: DR9866400
F: 3-10
Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also CHLORIDES.