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Substance Name: beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
RN: 116509-51-4
InChIKey: JPBWBXULUWHVSI-XQHKEYJVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N3-O7-S

Molecular Weight

  • 373.3841
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116509-51-4

System Generated Number

  • 0116509514

Structure Descriptors

InChI

1S/C14H19N3O7S/c1-6-15-14(17-16-6)25-13-12(24-9(4)20)11(23-8(3)19)10(5-21-13)22-7(2)18/h10-13H,5H2,1-4H3,(H,15,16,17)/t10-,11+,12-,13+/m1/s1

InChIKey

JPBWBXULUWHVSI-XQHKEYJVSA-N

Smiles

Cc1[nH]nc(n1)S[C@H]2[C@@H]([C@H]([C@@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 240mg/kg (240mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 35, 1987.