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Substance Name: Benz(a)azulen-6,9-imin-10-ol, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, (4bS-(4b-alpha,6-beta,9-beta,9a-alpha,10-beta))-
RN: 51805-82-4
InChIKey: GRQXEJOBDLWUGQ-FCHWROMDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N-O

Molecular Weight

  • 229.321
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 51805-82-4

System Generated Number

  • 0051805824

Structure Descriptors

InChI

1S/C15H19NO/c1-16-9-6-7-13(16)14-12(8-9)10-4-2-3-5-11(10)15(14)17/h2-5,9,12-15,17H,6-8H2,1H3/t9-,12-,13+,14+,15+/m1/s1

InChIKey

GRQXEJOBDLWUGQ-FCHWROMDSA-N

Smiles

c12[C@@H]3[C@@H]([C@H]4[N@](C)[C@H](C3)CC4)[C@H](c2cccc1)O

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.
mouse LD50 subcutaneous 292mg/kg (292mg/kg) GASTROINTESTINAL: RELAXATION (ISOLATED TISSUE) Journal of Medicinal Chemistry. Vol. 17, Pg. 1040, 1974.