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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-benzyl-9-oxo-2,4,6,8-tetraphenyl-
RN: 82058-35-3
InChIKey: VXVPBEDSAIYPGC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H35-N3-O-S

Molecular Weight

  • 593.792
 
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Names and Synonyms

Synonyms

  • BRN 5686001
  • ITA 438
  • N-Benzyl-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-benzyl-9-oxo-2,4,6,8-tetraphenyl-

Registry Numbers

CAS Registry Number

  • 82058-35-3

System Generated Number

  • 0082058353

Structure Descriptors

InChI

1S/C39H35N3OS/c43-38-32-34(28-18-8-2-9-19-28)41-35(29-20-10-3-11-21-29)33(38)37(31-24-14-5-15-25-31)42(36(32)30-22-12-4-13-23-30)39(44)40-26-27-16-6-1-7-17-27/h1-25,32-37,41H,26H2,(H,40,44)

InChIKey

VXVPBEDSAIYPGC-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(NCc1ccccc1)=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.