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Substance Name: 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3-(3-ethoxy-3-oxopropoxy)-6-hydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-
RN: 64670-57-1
InChIKey: BAEDLKICINEWML-JLMWRMLUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O6

Molecular Weight

  • 416.4712
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64670-57-1

System Generated Number

  • 0064670571

Structure Descriptors

InChI

1S/C22H28N2O6/c1-4-28-16(25)11-12-30-20-18-15(23-24-20)13-22(3,27)19(21(26)29-5-2)17(18)14-9-7-6-8-10-14/h6-10,17,19,27H,4-5,11-13H2,1-3H3,(H,23,24)/t17-,19-,22-/m0/s1

InChIKey

BAEDLKICINEWML-JLMWRMLUSA-N

Smiles

CCOC(=O)CCOc1c2c(n[nH]1)C[C@]([C@@H]([C@H]2c3ccccc3)C(=O)OCC)(C)O

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.