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Substance Name: 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-
RN: 64670-50-4
InChIKey: SZLAKENCVHZYCK-JLMWRMLUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N3-O4

Molecular Weight

  • 393.4407
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64670-50-4

System Generated Number

  • 0064670504

Structure Descriptors

InChI

1S/C22H23N3O4/c1-3-29-21(27)19-17(14-9-5-4-6-10-14)18-15(13-22(19,2)28)24-25(20(18)26)16-11-7-8-12-23-16/h4-12,17,19,26,28H,3,13H2,1-2H3/t17-,19-,22-/m0/s1

InChIKey

SZLAKENCVHZYCK-JLMWRMLUSA-N

Smiles

CCOC(=O)[C@@H]1[C@H](c2c(nn(c2O)c3ccccn3)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.