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Substance Name: 5,9-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro-8-(4-phenyl-1-piperazinyl)-, (5-alpha,8-beta,9-alpha)-
RN: 36535-93-0
InChIKey: AVOVUWSBNQIVFM-VSKRKVRLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-N2-O

Molecular Weight

  • 346.471
 
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Names and Synonyms

Synonym

  • BRN 0896057

Systematic Name

  • 5,9-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro-8-(4-phenyl-1-piperazinyl)-, (5-alpha,8-beta,9-alpha)-

Registry Numbers

CAS Registry Number

  • 36535-93-0

System Generated Number

  • 0036535930

Structure Descriptors

InChI

1S/C23H26N2O/c26-23-20-10-11-22(21(23)16-17-6-4-5-9-19(17)20)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-9,20-22H,10-16H2/t20-,21-,22+/m1/s1

InChIKey

AVOVUWSBNQIVFM-VSKRKVRLSA-N

Smiles

c12c(C[C@@H]3[C@H](CC[C@@H]1C3=O)N1CCN(CC1)c1ccccc1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 301, 1972.