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Substance Name: 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4,6-dimethoxyphenyl)-
RN: 111570-63-9
InChIKey: PARAJVFQZBQLAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-N2-O6

Molecular Weight

  • 408.408
 
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Names and Synonyms

Synonyms

  • 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone
  • BRN 5175796

Systematic Name

  • 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4,6-dimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 111570-63-9

System Generated Number

  • 0111570639

Structure Descriptors

InChI

1S/C22H20N2O6/c1-27-13-8-16(25)20(19(9-13)28-2)12-5-14(21-15(6-12)23-24-22(21)26)11-3-4-17-18(7-11)30-10-29-17/h3-4,6-9,14,21,25H,5,10H2,1-2H3,(H,24,26)

InChIKey

PARAJVFQZBQLAV-UHFFFAOYSA-N

Smiles

COc1cc(c(c(c1)OC)C2=CC3=NNC(=O)C3C(C2)c4ccc5c(c4)OCO5)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg) BEHAVIORAL: ANALGESIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 26, Pg. 150, 1987.