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Substance Name: 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 6-hydroxy-6-methyl-4-phenyl-3-(phenylmethoxy)-, ethyl ester, (4-alpha,5-beta,6-alpha)-
RN: 64670-56-0
InChIKey: RBLGRXVFERLUJH-PTLVVNQVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H26-N2-O4

Molecular Weight

  • 406.4794
 
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Names and Synonyms

Synonym

  • 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole

Systematic Name

  • 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 6-hydroxy-6-methyl-4-phenyl-3-(phenylmethoxy)-, ethyl ester, (4-alpha,5-beta,6-alpha)-

Registry Numbers

CAS Registry Number

  • 64670-56-0

System Generated Number

  • 0064670560

Structure Descriptors

InChI

1S/C24H26N2O4/c1-3-29-23(27)21-19(17-12-8-5-9-13-17)20-18(14-24(21,2)28)25-26-22(20)30-15-16-10-6-4-7-11-16/h4-13,19,21,28H,3,14-15H2,1-2H3,(H,25,26)/t19-,21-,24-/m0/s1

InChIKey

RBLGRXVFERLUJH-PTLVVNQVSA-N

Smiles

CCOC(=O)[C@@H]1[C@H](c2c(n[nH]c2OCc3ccccc3)C[C@]1(C)O)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 15, Pg. 359, 1977.