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Substance Name: beta-D-Xylopyranoside, 4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
RN: 116509-53-6
InChIKey: LGJCWQHLDOPGTA-SRUXOGRHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H24-N4-O7-S

Molecular Weight

  • 512.5406
 
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Names and Synonyms

Synonym

  • 4-Phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-thio-beta-D-xylopyranoside

Systematic Name

  • beta-D-Xylopyranoside, 4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate

Registry Numbers

CAS Registry Number

  • 116509-53-6

System Generated Number

  • 0116509536

Structure Descriptors

InChI

1S/C24H24N4O7S/c1-14(29)33-19-13-32-23(21(35-16(3)31)20(19)34-15(2)30)36-24-27-26-22(17-9-11-25-12-10-17)28(24)18-7-5-4-6-8-18/h4-12,19-21,23H,13H2,1-3H3/t19-,20+,21-,23+/m1/s1

InChIKey

LGJCWQHLDOPGTA-SRUXOGRHSA-N

Smiles

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Sc2nnc(n2c3ccccc3)c4ccncc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 380mg/kg (380mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 35, 1987.