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Substance Name: 1,3-Dioxolane-4-methanol, 2-(2-benzofuranyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, trans-
RN: 98519-38-1
InChIKey: ZHZAXCRDSDIEFS-SWLSCSKDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N3-O4

Molecular Weight

  • 301.3005
 
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Names and Synonyms

Synonym

  • trans-2-(2-Benzofuranyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol

Systematic Name

  • 1,3-Dioxolane-4-methanol, 2-(2-benzofuranyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, trans-

Registry Numbers

CAS Registry Number

  • 98519-38-1

Other Registry Number

  • 98519-50-7

System Generated Number

  • 0098519381

Structure Descriptors

InChI

1S/C15H15N3O4/c19-6-12-7-20-15(22-12,8-18-10-16-9-17-18)14-5-11-3-1-2-4-13(11)21-14/h1-5,9-10,12,19H,6-8H2/t12-,15+/m0/s1

InChIKey

ZHZAXCRDSDIEFS-SWLSCSKDSA-N

Smiles

c1ccc2c(c1)cc(o2)[C@@]3(OC[C@@H](O3)CO)Cn4cncn4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0130151,
rat LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0130151,