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Substance Name: beta-D-Galactopyranoside, 4-phenyl-5-(4-pyridinyl)4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride
RN: 116509-61-6
InChIKey: UQYAESNAHXGCMG-ZFMSMJNSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H28-N4-O9-S.Cl-H

Molecular Weight

  • 621.0641
 
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Names and Synonyms

  • beta-D-Galactopyranoside, 4-phenyl-5-(4-pyridinyl)4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride

Registry Numbers

CAS Registry Number

  • 116509-61-6

System Generated Number

  • 0116509616

Molecular Formulas

Molecular Formula

  • C27-H28-N4-O9-S.Cl-H

Molecular Formula Fragments

  • C27-H28-N4-O9-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H28N4O9S.ClH/c1-15(32)36-14-21-22(37-16(2)33)23(38-17(3)34)24(39-18(4)35)26(40-21)41-27-30-29-25(19-10-12-28-13-11-19)31(27)20-8-6-5-7-9-20;/h5-13,21-24,26H,14H2,1-4H3;1H/t21-,22+,23+,24-,26+;/m1./s1

InChIKey

UQYAESNAHXGCMG-ZFMSMJNSSA-N

Smiles

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Sc2nnc(n2c3ccccc3)c4ccncc4)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 200mg/kg (200mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 35, 1987.