Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benz(a)azulen-6,9-imin-3-ol, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, hydrobromide, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-
RN: 53758-00-2
InChIKey: AYCUPWXMHHYNSC-MVHVSYQBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N-O.Br-H

Molecular Weight

  • 310.233
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Benz(a)azulen-6,9-imin-3-ol, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, hydrobromide, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-

Registry Numbers

CAS Registry Number

  • 53758-00-2

System Generated Number

  • 0053758002

Molecular Formulas

Molecular Formula

  • C15-H19-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C15-H19-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C15H19NO.BrH/c1-16-10-3-5-15(16)14-6-9-2-4-11(17)8-12(9)13(14)7-10;/h2,4,8,10,13-15,17H,3,5-7H2,1H3;1H/t10?,13-,14+,15+;/m1./s1

InChIKey

AYCUPWXMHHYNSC-MVHVSYQBSA-N

Smiles

c12[C@@H]3[C@@H]([C@H]4[N@H+](C)[C@H](C3)CC4)Cc1ccc(c2)O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg) GASTROINTESTINAL: RELAXATION (ISOLATED TISSUE) Journal of Medicinal Chemistry. Vol. 17, Pg. 1040, 1974.