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Substance Name: 1H-Azepine, hexahydro-1-dodecyl-, 1-oxide
RN: 56501-36-1
InChIKey: HYDFMWOGHZZOKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H37-N-O

Molecular Weight

  • 283.496
 
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Names and Synonyms

Synonyms

  • 1-Dodecylhexahydro-1H-azepine-1-oxide
  • 1-Dodecylhexamethylenimine-N-oxide
  • 4-20-00-01409 (Beilstein Handbook Reference)
  • BRN 0166047
  • Hexahydro-1-dodecyl-1H-azepine-1-oxide

Systematic Name

  • 1H-Azepine, hexahydro-1-dodecyl-, 1-oxide

Registry Numbers

CAS Registry Number

  • 56501-36-1

System Generated Number

  • 0056501361

Structure Descriptors

InChI

1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-13-16-19(20)17-14-11-12-15-18-19/h2-18H2,1H3

InChIKey

HYDFMWOGHZZOKE-UHFFFAOYSA-N

Smiles

[N+]1(CCCCCC1)(CCCCCCCCCCCC)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 76mg/kg (76mg/kg)   Proceedings of the European Society of Toxicology. Vol. 16, Pg. 236, 1975.
mouse LD50 intravenous 33mg/kg (33mg/kg)   Proceedings of the European Society of Toxicology. Vol. 16, Pg. 236, 1975.
mouse LD50 oral 94mg/kg (94mg/kg)   Proceedings of the European Society of Toxicology. Vol. 16, Pg. 236, 1975.