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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-benzyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-
RN: 82058-38-6
InChIKey: SHFZELBWLLTHIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H37-N3-O-S

Molecular Weight

  • 607.818
 
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Names and Synonyms

Synonyms

  • BRN 5686329
  • ITA 441
  • N-Benzyl-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-benzyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-

Registry Numbers

CAS Registry Number

  • 82058-38-6

System Generated Number

  • 0082058386

Structure Descriptors

InChI

1S/C40H37N3OS/c1-40-36(31-23-13-5-14-24-31)42-34(29-19-9-3-10-20-29)33(38(40)44)35(30-21-11-4-12-22-30)43(37(40)32-25-15-6-16-26-32)39(45)41-27-28-17-7-2-8-18-28/h2-26,33-37,42H,27H2,1H3,(H,41,45)

InChIKey

SHFZELBWLLTHIC-UHFFFAOYSA-N

Smiles

C1([C@@]2([C@@H](N([C@@H](c3ccccc3)[C@@H]1[C@@H](N[C@@H]2c1ccccc1)c1ccccc1)C(NCc1ccccc1)=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.