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Substance Name: ITA 435
RN: 82058-32-0
InChIKey: QARQMLRJUWCFKC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H41-N3-O2

Molecular Weight

  • 583.772
 
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Names and Synonyms

Results Name

  • ITA 435

Synonyms

  • BRN 5688894
  • ITA 435
  • N-Cyclohexyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82058-32-0

System Generated Number

  • 0082058320

Structure Descriptors

InChI

1S/C39H41N3O2/c1-39-35(29-21-11-4-12-22-29)41-33(27-17-7-2-8-18-27)32(37(39)43)34(28-19-9-3-10-20-28)42(36(39)30-23-13-5-14-24-30)38(44)40-31-25-15-6-16-26-31/h2-5,7-14,17-24,31-36,41H,6,15-16,25-26H2,1H3,(H,40,44)

InChIKey

QARQMLRJUWCFKC-UHFFFAOYSA-N

Smiles

C1([C@@]2([C@@H](N([C@@H](c3ccccc3)[C@@H]1[C@@H](N[C@@H]2c1ccccc1)c1ccccc1)C(NC1CCCCC1)=O)c1ccccc1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2700mg/kg (2700mg/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.