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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-allyl-9-oxo-2,4,6,8-tetraphenyl-
RN: 82058-34-2
InChIKey: IJNLWDFJRWFCHD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H33-N3-O-S

Molecular Weight

  • 543.732
 
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Names and Synonyms

Synonyms

  • BRN 5678042
  • ITA 437
  • N-Allyl-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-allyl-9-oxo-2,4,6,8-tetraphenyl-

Registry Numbers

CAS Registry Number

  • 82058-34-2

System Generated Number

  • 0082058342

Structure Descriptors

InChI

1S/C35H33N3OS/c1-2-23-36-35(40)38-32(26-19-11-5-12-20-26)28-30(24-15-7-3-8-16-24)37-31(25-17-9-4-10-18-25)29(34(28)39)33(38)27-21-13-6-14-22-27/h2-22,28-33,37H,1,23H2,(H,36,40)

InChIKey

IJNLWDFJRWFCHD-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=C)=S

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.