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Substance Name: Azocine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)octahydro- (9CI)
RN: 3810-59-1
InChIKey: YXJCIUZUGUSPRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O2

Molecular Weight

  • 261.363
 
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Names and Synonyms

Synonyms

  • 1-(1,4-Benzodioxan-2-ylmethyl)octahydroazocine
  • 5-20-04-00166 (Beilstein Handbook Reference)
  • BD 5
  • BRN 1650601

Systematic Names

  • Azocine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)octahydro- (9CI)
  • Azocine, octahydro-1-(1,4-benzodioxan-2-ylmethyl)-
  • Heptamethylenimine, 1-(1,4-benzodioxin-2-ylmethyl)- (7CI)

Registry Numbers

CAS Registry Number

  • 3810-59-1

System Generated Number

  • 0003810591

Structure Descriptors

InChI

1S/C16H23NO2/c1-2-6-10-17(11-7-3-1)12-14-13-18-15-8-4-5-9-16(15)19-14/h4-5,8-9,14H,1-3,6-7,10-13H2

InChIKey

YXJCIUZUGUSPRL-UHFFFAOYSA-N

Smiles

c12c(OC[C@@H](O1)CN1CCCCCCC1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION
Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 10, Pg. 105, 1963.