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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetraphenyl-
RN: 82058-25-1
InChIKey: ITMYAKZQPZORAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H33-N3-O2

Molecular Weight

  • 515.654
 
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Names and Synonyms

Synonyms

  • BRN 5679279
  • ITA 428
  • N-Ethyl-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-ethyl-9-oxo-2,4,6,8-tetraphenyl-

Registry Numbers

CAS Registry Number

  • 82058-25-1

System Generated Number

  • 0082058251

Structure Descriptors

InChI

1S/C34H33N3O2/c1-2-35-34(39)37-31(25-19-11-5-12-20-25)27-29(23-15-7-3-8-16-23)36-30(24-17-9-4-10-18-24)28(33(27)38)32(37)26-21-13-6-14-22-26/h3-22,27-32,36H,2H2,1H3,(H,35,39)

InChIKey

ITMYAKZQPZORAN-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(NCC)=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.