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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-methoxyphenyl)-
RN: 82058-40-0
InChIKey: HAKOWBBJWUKGBS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H41-N3-O5-S

Molecular Weight

  • 651.824
 
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Names and Synonyms

Synonyms

  • BRN 5699861
  • ITA 472

Systematic Name

  • 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 82058-40-0

System Generated Number

  • 0082058400

Structure Descriptors

InChI

1S/C38H41N3O5S/c1-6-39-38(47)41-35(25-11-19-29(45-4)20-12-25)31-33(23-7-15-27(43-2)16-8-23)40-34(24-9-17-28(44-3)18-10-24)32(37(31)42)36(41)26-13-21-30(46-5)22-14-26/h7-22,31-36,40H,6H2,1-5H3,(H,39,47)

InChIKey

HAKOWBBJWUKGBS-UHFFFAOYSA-N

Smiles

N1([C@@H]([C@@H]2[C@@H](N[C@@H](c3ccc(OC)cc3)[C@@H](C2=O)[C@@H]1c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)C(NCC)=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: MUSCLE WEAKNESS
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 187, 1982.