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Substance Name: Berberine sulfate [JAN]
RN: 69352-97-2
UNII: T3MQ0UO932
InChIKey: FYBWCLKVKGHJKS-UHFFFAOYSA-L

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C20-H18-N-O4.3H2-O.1/2O4-S

Molecular Weight

  • 822.8368
 
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Names and Synonyms

Name of Substance

  • Berberine sulfate trihydrate
  • Berberine sulfate [JAN]

Synonyms

  • Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (2:1), trihydrate
  • Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate, hydrate (2:1:3)
  • Berberine sesquihydrate sulfate
  • Berberine sulfate trihydrate
  • UNII-T3MQ0UO932

Registry Numbers

CAS Registry Number

  • 69352-97-2

FDA UNII

  • T3MQ0UO932

Other Registry Number

  • 6190-33-6

System Generated Number

  • 0069352972

Molecular Formulas

Molecular Formula

  • C20-H18-N-O4.3H2-O.1/2O4-S

Molecular Formula Fragments

  • C20-H18-N-O4
  • COMPONENT
  • H2-O
  • O4-S

Structure Descriptors

InChI

1S/2C20H18NO4.H2O4S.3H2O/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);3*1H2/q2*+1;;;;/p-2

InChIKey

FYBWCLKVKGHJKS-UHFFFAOYSA-L

Smiles

COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5.COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5.O.O.O.[O-]S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 20mg/kg (20mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.