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Substance Name: beta-D-Galactopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride
RN: 116509-59-2
InChIKey: ANKMMEJJUXNULI-QINYOJHVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N3-O9-S.Cl-H

Molecular Weight

  • 481.9076
 
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Names and Synonyms

Synonym

  • 5-Methyl-1H-1,2,4-triazol-3-yl 1-thio-beta-D-galactopyranoside 2,3,4,6-tetraacetate,

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116509-59-2

System Generated Number

  • 0116509592

Molecular Formulas

Molecular Formula

  • C17-H23-N3-O9-S.Cl-H

Molecular Formula Fragments

  • C17-H23-N3-O9-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23N3O9S.ClH/c1-7-18-17(20-19-7)30-16-15(28-11(5)24)14(27-10(4)23)13(26-9(3)22)12(29-16)6-25-8(2)21;/h12-16H,6H2,1-5H3,(H,18,19,20);1H/t12-,13+,14+,15-,16+;/m1./s1

InChIKey

ANKMMEJJUXNULI-QINYOJHVSA-N

Smiles

Cc1[nH]nc(n1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)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 1780mg/kg (1780mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 35, 1987.