Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benz(a)azulen-6,9-imin-10(4bH)-one, 5,6,7,8,9,9a-hexahydro-2-fluoro-11-methyl-, hydrochloride(4bS-(4b-alpha,6-beta,9-beta, 9a-alpha))-
RN: 53758-01-3
InChIKey: DQUWRVHVHUFUMY-VBVTVUQCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-F-N-O.Cl-H

Molecular Weight

  • 281.756
 
* 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-10(4bH)-one, 5,6,7,8,9,9a-hexahydro-2-fluoro-11-methyl-, hydrochloride(4bS-(4b-alpha,6-beta,9-beta, 9a-alpha))-

Registry Numbers

CAS Registry Number

  • 53758-01-3

System Generated Number

  • 0053758013

Molecular Formulas

Molecular Formula

  • C15-H16-F-N-O.Cl-H

Molecular Formula Fragments

  • C15-H16-F-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H16FNO.ClH/c1-17-9-3-5-13(17)14-11(7-9)10-4-2-8(16)6-12(10)15(14)18;/h2,4,6,9,11,13-14H,3,5,7H2,1H3;1H/t9?,11-,13+,14+;/m1./s1

InChIKey

DQUWRVHVHUFUMY-VBVTVUQCSA-N

Smiles

C1([C@H]2[C@@H](c3ccc(cc13)F)C[C@@H]1[N@H+]([C@@H]2CC1)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo subcutaneous 80mg/kg (80mg/kg) GASTROINTESTINAL: RELAXATION (ISOLATED TISSUE) Journal of Medicinal Chemistry. Vol. 17, Pg. 1040, 1974.