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Substance Name: Oxyberberine
RN: 549-21-3
UNII: 4A04YKB3FT
InChIKey: ZHYQCBCBTQWPLC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-N-O5

Molecular Weight

  • 351.356
 
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Names and Synonyms

Results Name

  • Oxyberberine

Name of Substance

  • 8-Oxyberberine

Synonyms

  • 4-27-00-06654 (Beilstein Handbook Reference)
  • 8-Oxyberberine
  • 9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinone
  • Berlambine
  • BRN 0339209
  • Ketoberberine
  • NSC 93138
  • Oxyberberine
  • UNII-4A04YKB3FT

Systematic Name

  • 8-Berbinone, 13,13a-didehydro-9,10-dimethoxy-2,3-(methylenedioxy)-

Registry Numbers

CAS Registry Number

  • 549-21-3

FDA UNII

  • 4A04YKB3FT

System Generated Number

  • 0000549213

Structure Descriptors

InChI

1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3

InChIKey

ZHYQCBCBTQWPLC-UHFFFAOYSA-N

Smiles

c12c3c(cc4OCOc4c3)CCn1c(c1c(c(OC)ccc1c2)OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Pharmaceutical Chemistry Journal Vol. 15, Pg. 486, 1981.