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CAS No.: 316-41-6
Name: BERBERINE SULFATE TRIHYDRATE
Molecular Structure:
Molecular Structure of 316-41-6 (BERBERINE SULFATE TRIHYDRATE)
Formula: C40H36N2O8•O4S
Molecular Weight: 360.383
Synonyms: Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2, 3- (methylenedioxy)-, sulfate (2:1);Berberal;Berberine sulfate (2:1);Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate (2:1);Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9, 10-dimethoxy-, sulfate (2:1);Neutral berberine sulfate;Berberine sulfate (VAN);5,6-Dihydro-9,10-dimethoxy-benzo(g)-1,3-benzo-dioxolo (5,6-a)quinolizinium sulfate (2:1);
EINECS: 206-258-2
Density: unknow
Solubility: almost transparency
Appearance: Yellow fine powder
PSA: 170.24000
LogP: 5.93540
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Chemistry

Product Name: Berberine sulfate trihydrate
Synonyms of Berberine sulfate (CAS NO.316-41-6): 3-Benzodioxolo(5,6-a)quinolizinium,5,6-dihydro-9,10-dimethoxy-benzo(g)-sul ; 3-Benzodioxolo(5,6-a)quinolizinium,5,6-dihydro-9,10-dimethoxy-benzo(g)-s ; 7,8,13,13A-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-berbiniusulfat ; Berberinesulfate(2:1) ; Berberinsulfate ; Fate(2:1) ; Neutralberberinesulfate ; Ulfate(2:1)
CAS NO: 316-41-6
Molecular Formula: C40H36N2O12S
Molecular Weight of Berberine sulfate (CAS NO.316-41-6): 768.785
Molecular Structure :
EINECS: 206-258-2
Mol File: 316-41-6.mol
Colour Index : 75160
Merck : 1154
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 40.8 Å2 
SMILES: [O-]S([O-])(=O)=O.O(c3ccc2cc4c1cc5OCOc5cc1CC[n+]4cc2c3OC)C.O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)c3c[n+]4CC5
InChI: InChI=1/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKey: OJVABJMSSDUECT-NUQVWONBAV
Std. InChI: InChI=1S/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2
Std. InChIKey: OJVABJMSSDUECT-UHFFFAOYSA-L
Product Categories of Berberine sulfate (CAS NO.316-41-6): Alkaloids;Biochemistry;Isoquinoline Alkaloids;Natural Plant Extract

Uses

 Berberine sulfate (CAS NO.316-41-6) is used for antibacterial drugs for the treatment with intestinal infection caused by bacillary dysentery .

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 26400ug/kg (26.4mg/kg)   Drugs in Japan Vol. 6, Pg. 770, 1982.
mouse LD50 intravenous 8200ug/kg (8.2mg/kg)   Drugs in Japan Vol. 6, Pg. 770, 1982.
mouse LD50 subcutaneous 13200ug/kg (13.2mg/kg)   Drugs in Japan Vol. 6, Pg. 770, 1982.

Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and SOx. See also SULFATES.
RIDADR: 1544
RTECS: DR9867300
HazardClass: 6.1(b)
PackingGroup: III