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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-
RN: 98519-29-0
InChIKey: CPRBQLZJMPPOOS-WMLDXEAASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N3-O4

Molecular Weight

  • 329.3541
 
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Names and Synonyms

Synonym

  • trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-ethoxymethyl-1,3-dioxolan

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-

Registry Numbers

CAS Registry Number

  • 98519-29-0

System Generated Number

  • 0098519290

Structure Descriptors

InChI

1S/C17H19N3O4/c1-2-21-8-14-9-22-17(24-14,10-20-12-18-11-19-20)16-7-13-5-3-4-6-15(13)23-16/h3-7,11-12,14H,2,8-10H2,1H3/t14-,17+/m0/s1

InChIKey

CPRBQLZJMPPOOS-WMLDXEAASA-N

Smiles

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

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,