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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-chlorophenyl)-
RN: 82058-43-3
InChIKey: KSSKVLAGUBUECK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H29-Cl4-N3-O2

Molecular Weight

  • 653.434
 
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Names and Synonyms

Synonyms

  • BRN 5694991
  • ITA 476
  • N-Ethyl-9-oxo-2,4,6,8-tetrakis(p-chlorophenyl)-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide

Systematic Name

  • 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-chlorophenyl)-

Registry Numbers

CAS Registry Number

  • 82058-43-3

System Generated Number

  • 0082058433

Structure Descriptors

InChI

1S/C34H29Cl4N3O2/c1-2-39-34(43)41-31(21-7-15-25(37)16-8-21)27-29(19-3-11-23(35)12-4-19)40-30(20-5-13-24(36)14-6-20)28(33(27)42)32(41)22-9-17-26(38)18-10-22/h3-18,27-32,40H,2H2,1H3,(H,39,43)

InChIKey

KSSKVLAGUBUECK-UHFFFAOYSA-N

Smiles

C1([C@@H]2[C@@H](N([C@@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](N[C@@H]2c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(NCC)=O)c1ccc(Cl)cc1)=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: MUSCLE WEAKNESS
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 187, 1982.