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Substance Name: beta-D-Glucopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride
RN: 116509-58-1
InChIKey: BLPNDOJHFQOIBE-HIUQAGJGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-N3-O9-S.Cl-H

Molecular Weight

  • 620.076
 
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Names and Synonyms

Synonym

  • 4,5-Diphenyl-4H-1,2,4-triazol-3-yl 1-thio-beta-D-glucopyranoside 2,3,4,6-tetraacetate HCl

Systematic Name

  • beta-D-Glucopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride

Registry Numbers

CAS Registry Number

  • 116509-58-1

System Generated Number

  • 0116509581

Molecular Formulas

Molecular Formula

  • C28-H29-N3-O9-S.Cl-H

Molecular Formula Fragments

  • C28-H29-N3-O9-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H29N3O9S.ClH/c1-16(32)36-15-22-23(37-17(2)33)24(38-18(3)34)25(39-19(4)35)27(40-22)41-28-30-29-26(20-11-7-5-8-12-20)31(28)21-13-9-6-10-14-21;/h5-14,22-25,27H,15H2,1-4H3;1H/t22-,23-,24+,25-,27+;/m1./s1

InChIKey

BLPNDOJHFQOIBE-HIUQAGJGSA-N

Smiles

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Sc2nnc(n2c3ccccc3)c4ccccc4)OC(=O)C)OC(=O)C)OC(=O)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 1gm/kg (1000mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 35, 1987.