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Substance Name: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a-octahydro-11-methyl-, (4bR-(4b-alpha,6-beta,9-beta,9a-alpha))-
RN: 57458-46-5
InChIKey: DQOCUOSYTMEEEY-VAUYPLMASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N

Molecular Weight

  • 213.322
 
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Names and Synonyms

Synonym

  • BRN 1573489

Systematic Name

  • Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a-octahydro-11-methyl-, (4bR-(4b-alpha,6-beta,9-beta,9a-alpha))-

Registry Numbers

CAS Registry Number

  • 57458-46-5

System Generated Number

  • 0057458465

Structure Descriptors

InChI

1S/C15H19N/c1-16-11-6-7-15(16)14-8-10-4-2-3-5-12(10)13(14)9-11/h2-5,11,13-15H,6-9H2,1H3/t11?,13-,14+,15+/m1/s1

InChIKey

DQOCUOSYTMEEEY-VAUYPLMASA-N

Smiles

c12[C@@H]3[C@@H]([C@H]4[N@](C)[C@H](C3)CC4)Cc1cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2500ug/kg (2.5mg/kg) GASTROINTESTINAL: RELAXATION (ISOLATED TISSUE) Journal of Medicinal Chemistry. Vol. 17, Pg. 1040, 1974.