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Substance Name: Berberine chloride dihydrate
RN: 5956-60-5
UNII: 266464AEJZ
InChIKey: NWMNHQUPWGJEKI-UHFFFAOYSA-M

Molecular Formula

  • C20-H18-N-O4.Cl.2H2-O

Molecular Weight

  • 407.848
 
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Names and Synonyms

Results Name

  • Berberine chloride dihydrate

Name of Substance

  • Berberine chloride dihydrate

Synonyms

  • 5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride dihydrate
  • Berberine chloride dihydrate
  • Berberine hydrochloride bihydrate
  • UNII-266464AEJZ

Systematic Name

  • Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, dihydrate

Registry Numbers

CAS Registry Number

  • 5956-60-5

FDA UNII

  • 266464AEJZ

System Generated Number

  • 0005956605

Molecular Formulas

Molecular Formula

  • C20-H18-N-O4.Cl.2H2-O

Molecular Formula Fragments

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

Structure Descriptors

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

c12c3cc4c(c(c(cc4)OC)OC)c[n+]3CCc2cc2c(OCO2)c1.[ClH-].O.O

Toxicity

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.