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Substance Name: 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-4-(3-ethoxy-4-(phenylmethoxy)phenyl)-6-methyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-
RN: 64670-45-7
InChIKey: GBBZVGCMVBBCTO-KJOQGJGQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-N2-O6

Molecular Weight

  • 466.531
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64670-45-7

System Generated Number

  • 0064670457

Structure Descriptors

InChI

1S/C26H30N2O6/c1-4-32-20-13-17(11-12-19(20)34-15-16-9-7-6-8-10-16)21-22-18(27-28-24(22)29)14-26(3,31)23(21)25(30)33-5-2/h6-13,21,23,31H,4-5,14-15H2,1-3H3,(H2,27,28,29)/t21-,23-,26-/m0/s1

InChIKey

GBBZVGCMVBBCTO-KJOQGJGQSA-N

Smiles

CCOc1cc(ccc1OCc2ccccc2)[C@H]3c4c(n[nH]c4O)C[C@]([C@@H]3C(=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.