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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-
RN: 82058-36-4
InChIKey: NRQCCQONPKCRFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H35-N3-O-S

Molecular Weight

  • 545.747
 
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Names and Synonyms

Synonyms

  • BRN 5678103
  • ITA 439
  • N-Ethyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-thiocarboxamide

Systematic Name

  • 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-

Registry Numbers

CAS Registry Number

  • 82058-36-4

System Generated Number

  • 0082058364

Structure Descriptors

InChI

1S/C35H35N3OS/c1-3-36-34(40)38-30(25-18-10-5-11-19-25)28-29(24-16-8-4-9-17-24)37-31(26-20-12-6-13-21-26)35(2,33(28)39)32(38)27-22-14-7-15-23-27/h4-23,28-32,37H,3H2,1-2H3,(H,36,40)

InChIKey

NRQCCQONPKCRFB-UHFFFAOYSA-N

Smiles

C1([C@@]2([C@@H](N([C@@H](c3ccccc3)[C@@H]1[C@@H](N[C@@H]2c1ccccc1)c1ccccc1)C(NCC)=S)c1ccccc1)C)=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.