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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-tert-butyl-9-oxo-2,4,6,8-tetraphenyl-
RN: 82058-27-3
InChIKey: DOESCKXGZUBDDP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H37-N3-O

Molecular Weight

  • 543.7073
 
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Names and Synonyms

Synonyms

  • ITA 430
  • N-tert-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-tert-butyl-9-oxo-2,4,6,8-tetraphenyl-

Registry Numbers

CAS Registry Number

  • 82058-27-3

System Generated Number

  • 0082058273

Structure Descriptors

InChI

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

InChIKey

DOESCKXGZUBDDP-UHFFFAOYSA-N

Smiles

CC(C)(C)NC(=O)N1C(C2C(NC(C(C1c3ccccc3)C2=O)c4ccccc4)c5ccccc5)c6ccccc6

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.