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Substance Name: beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
RN: 116509-52-5
InChIKey: UORJYOCQTLRACR-GBAAUQCPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H25-N3-O7-S

Molecular Weight

  • 511.5525
 
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Names and Synonyms

Synonym

  • 4,5-Diphenyl-4H-1,2,4-triazol-3-yl 1-thio-beta-D-xylopyranoside 2,3,4-triacetate

Systematic Name

  • beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate

Registry Numbers

CAS Registry Number

  • 116509-52-5

System Generated Number

  • 0116509525

Structure Descriptors

InChI

1S/C25H25N3O7S/c1-15(29)33-20-14-32-24(22(35-17(3)31)21(20)34-16(2)30)36-25-27-26-23(18-10-6-4-7-11-18)28(25)19-12-8-5-9-13-19/h4-13,20-22,24H,14H2,1-3H3/t20-,21+,22-,24+/m1/s1

InChIKey

UORJYOCQTLRACR-GBAAUQCPSA-N

Smiles

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Sc2nnc(n2c3ccccc3)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 260mg/kg (260mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 35, 1987.