Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl)methyl)-, cis-
RN: 98532-80-0
InChIKey: XLCJQVYEZGZAEK-YLJYHZDGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N3-O3

Molecular Weight

  • 355.4355
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5,5-dimethyl-4-propyl-1,3-dioxan

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl)methyl)-, cis-

Registry Numbers

CAS Registry Number

  • 98532-80-0

System Generated Number

  • 0098532800

Structure Descriptors

InChI

1S/C20H25N3O3/c1-4-7-17-19(2,3)12-24-20(26-17,11-23-14-21-13-22-23)18-10-15-8-5-6-9-16(15)25-18/h5-6,8-10,13-14,17H,4,7,11-12H2,1-3H3/t17-,20-/m1/s1

InChIKey

XLCJQVYEZGZAEK-YLJYHZDGSA-N

Smiles

CCC[C@@H]1C(CO[C@@](O1)(Cn2cncn2)c3cc4ccccc4o3)(C)C

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,