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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-
RN: 82058-28-4
InChIKey: XJEDJDYJFNUOLS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H39-N3-O2

Molecular Weight

  • 569.745
 
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Names and Synonyms

Synonyms

  • BRN 5690249
  • ITA 431
  • N-Cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide

Systematic Name

  • 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-

Registry Numbers

CAS Registry Number

  • 82058-28-4

System Generated Number

  • 0082058284

Structure Descriptors

InChI

1S/C38H39N3O2/c42-37-31-33(26-16-6-1-7-17-26)40-34(27-18-8-2-9-19-27)32(37)36(29-22-12-4-13-23-29)41(35(31)28-20-10-3-11-21-28)38(43)39-30-24-14-5-15-25-30/h1-4,6-13,16-23,30-36,40H,5,14-15,24-25H2,(H,39,43)

InChIKey

XJEDJDYJFNUOLS-UHFFFAOYSA-N

Smiles

N1([C@@H]([C@@H]2[C@@H](N[C@@H](c3ccccc3)[C@@H](C2=O)[C@@H]1c1ccccc1)c1ccccc1)c1ccccc1)C(NC1CCCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: ANTIANXIETY

BEHAVIORAL: ANTICONVULSANT
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 187, 1982.