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Substance Name: 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-(4-(phenylmethoxy)phenyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-
RN: 64670-46-8
InChIKey: JCZKNGGRZKGFFJ-PTLVVNQVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H26-N2-O5

Molecular Weight

  • 422.4784
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64670-46-8

System Generated Number

  • 0064670468

Structure Descriptors

InChI

1S/C24H26N2O5/c1-3-30-23(28)21-19(20-18(13-24(21,2)29)25-26-22(20)27)16-9-11-17(12-10-16)31-14-15-7-5-4-6-8-15/h4-12,19,21,29H,3,13-14H2,1-2H3,(H2,25,26,27)/t19-,21-,24-/m0/s1

InChIKey

JCZKNGGRZKGFFJ-PTLVVNQVSA-N

Smiles

CCOC(=O)[C@@H]1[C@H](c2c(n[nH]c2O)C[C@]1(C)O)c3ccc(cc3)OCc4ccccc4

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.