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Substance Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-bis(oxiranylmethyl)-5-(1-methylethyl)-
RN: 160455-70-9
InChIKey: NCUJZPXJVIWNMT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N3-O3

Molecular Weight

  • 239.2733
 
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Names and Synonyms

Synonym

  • 2,4-Dihydro-2,4-bis(oxiranylmethyl)-5-(1-methylethyl)-3H-1,2,4-triazol-3-one

Systematic Name

  • 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-bis(oxiranylmethyl)-5-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 160455-70-9

System Generated Number

  • 0160455709

Structure Descriptors

InChI

1S/C11H17N3O3/c1-7(2)10-12-14(4-9-6-17-9)11(15)13(10)3-8-5-16-8/h7-9H,3-6H2,1-2H3

InChIKey

NCUJZPXJVIWNMT-UHFFFAOYSA-N

Smiles

CC(C)c1nn(c(=O)n1CC2CO2)CC3CO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 67, 1993.