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Substance Name: Benzenepropanamide, N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-
RN: 86706-07-2
InChIKey: NTNRUSZQDRVOCG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N2-O

Molecular Weight

  • 326.481
 
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Names and Synonyms

Synonyms

  • N-(3-Phenylpropionyl)-4-amino-4,8,8-trimethyl-1-azaadamantane
  • N-(4,8,8-Trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)benzenepropanamide

Systematic Name

  • Benzenepropanamide, N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-

Registry Numbers

CAS Registry Number

  • 86706-07-2

System Generated Number

  • 0086706072

Structure Descriptors

InChI

1S/C21H30N2O/c1-20(2)16-11-17-13-23(20)14-18(12-16)21(17,3)22-19(24)10-9-15-7-5-4-6-8-15/h4-8,16-18H,9-14H2,1-3H3,(H,22,24)

InChIKey

NTNRUSZQDRVOCG-UHFFFAOYSA-N

Smiles

C1C2C[C@@H]3C(C)(NC(=O)CCc4ccccc4)[C@@H]1CN(C3)C2(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 375mg/kg (375mg/kg)   United States Patent Document. Vol. #4578382,
mouse LD50 oral 2400mg/kg (2400mg/kg)   United States Patent Document. Vol. #4578382,