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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-butyl-9-oxo-2,4,6,8-tetraphenyl-
RN: 82058-26-2
InChIKey: KCJLMPALOLQKKS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H37-N3-O2

Molecular Weight

  • 543.707
 
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Names and Synonyms

Synonyms

  • BRN 5686075
  • ITA 429
  • N-Butyl-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-butyl-9-oxo-2,4,6,8-tetraphenyl-

Registry Numbers

CAS Registry Number

  • 82058-26-2

System Generated Number

  • 0082058262

Structure Descriptors

InChI

1S/C36H37N3O2/c1-2-3-24-37-36(41)39-33(27-20-12-6-13-21-27)29-31(25-16-8-4-9-17-25)38-32(26-18-10-5-11-19-26)30(35(29)40)34(39)28-22-14-7-15-23-28/h4-23,29-34,38H,2-3,24H2,1H3,(H,37,41)

InChIKey

KCJLMPALOLQKKS-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(NCCCC)=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.