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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(o-chlorophenyl)-
RN: 82058-41-1
InChIKey: RRNXXLZNBXADPO-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 5696512
  • ITA 474
  • N-Ethyl-9-oxo-2,4,6,8-tetrakis(o-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(o-chlorophenyl)-

Registry Numbers

CAS Registry Number

  • 82058-41-1

System Generated Number

  • 0082058411

Structure Descriptors

InChI

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

InChIKey

RRNXXLZNBXADPO-UHFFFAOYSA-N

Smiles

C1([C@@H]2[C@@H](N([C@@H](c3c(cccc3)Cl)[C@@H]1[C@@H](N[C@@H]2c1c(cccc1)Cl)c1c(cccc1)Cl)C(NCC)=O)c1c(cccc1)Cl)=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.