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Substance Name: 1H-Azepin-3-ol, hexahydro-1-methyl-, acetate (ester)
RN: 52774-45-5
InChIKey: HDCWURBOMBHSRI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H17-N-O2

Molecular Weight

  • 171.238
 
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Names and Synonyms

Synonyms

  • 1-Methyl-3-acetoxyhexahydroazepine
  • 5-21-01-00096 (Beilstein Handbook Reference)
  • BRN 1449037
  • Hexahydro-1-methyl-1H-azepin-3-ol acetate (ester)

Systematic Name

  • 1H-Azepin-3-ol, hexahydro-1-methyl-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 52774-45-5

System Generated Number

  • 0052774455

Structure Descriptors

InChI

1S/C9H17NO2/c1-8(11)12-9-5-3-4-6-10(2)7-9/h9H,3-7H2,1-2H3

InChIKey

HDCWURBOMBHSRI-UHFFFAOYSA-N

Smiles

C1[C@@H](CCCC[N@@]1C)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 240mg/kg (240mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: TREMOR
Pharmaceutical Chemistry Journal Vol. 8, Pg. 145, 1974.