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Substance Name: 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-4-(3,4-dimethoxyphenyl)-6-(2-hydroxy-4-methoxyphenyl)-
RN: 101986-22-5
InChIKey: DUGIILTYDNNAIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-N2-O5

Molecular Weight

  • 394.4248
 
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Names and Synonyms

Synonyms

  • 2,3a,4,5-Tetrahydro-4-(3,4-dimethoxyphenyl)-6-(2-hydroxy-4-methoxyphenyl)-3H-indazol-3-one
  • BRN 5653121

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101986-22-5

System Generated Number

  • 0101986225

Structure Descriptors

InChI

1S/C22H22N2O5/c1-27-14-5-6-15(18(25)11-14)13-8-16(21-17(9-13)23-24-22(21)26)12-4-7-19(28-2)20(10-12)29-3/h4-7,9-11,16,21,25H,8H2,1-3H3,(H,24,26)

InChIKey

DUGIILTYDNNAIK-UHFFFAOYSA-N

Smiles

COc1ccc(c(c1)O)C2=CC3=NNC(=O)C3C(C2)c4ccc(c(c4)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 645, 1985.