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Substance Name: Triapenthenol [ISO]
RN: 76608-88-3
UNII: 035WC6W66U
InChIKey: CNFMJLVJDNGPHR-UKTHLTGXSA-N

Molecular Formula

  • C15-H25-N3-O

Molecular Weight

  • 263.3825
 
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Names and Synonyms

Name of Substance

  • Triapenthenol [ISO]

Synonyms

  • EINECS 278-498-6
  • Triapenthenol
  • UNII-035WC6W66U

Systematic Names

  • 1H-1,2,4-Triazol-1-ethanol, beta-(cyclohexylmethylene)-alpha-(1,1-dimethylethyl)-, (betaE)-
  • 1H-1,2,4-Triazole-1-ethanol, beta-(cyclohexylmethylene)-alpha-(1,1-dimethylethyl)-, (E)-
  • alpha-tert-Butyl-(E)-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol
  • Triapenthenol

Registry Numbers

CAS Registry Number

  • 76608-88-3

FDA UNII

  • 035WC6W66U

System Generated Number

  • 0076608883

Structure Descriptors

InChI

1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3/b13-9+

InChIKey

CNFMJLVJDNGPHR-UKTHLTGXSA-N

Smiles

CC(C)(C)C(O)\C(=C/C1CCCCC1)\n2cncn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral > 5gm/kg (5000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0543292,