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Substance Name: Benzoic acid, 6-dimethylamino-4,4-diphenyl-3-heptyl ester, hydrochloride
RN: 63916-74-5
InChIKey: CGJVQYXNMYLDBV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H33-N-O2.Cl-H

Molecular Weight

  • 452.035
 
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Names and Synonyms

Synonyms

  • 3-Benzooxy-6-dimethylamino-4,4-diphenylheptane hydrochloride
  • Benzoic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride

Systematic Name

  • Benzoic acid, 6-dimethylamino-4,4-diphenyl-3-heptyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 63916-74-5

System Generated Number

  • 0063916745

Molecular Formulas

Molecular Formula

  • C28-H33-N-O2.Cl-H

Molecular Formula Fragments

  • C28-H33-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H33NO2.ClH/c1-5-26(31-27(30)23-15-9-6-10-16-23)28(21-22(2)29(3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;/h6-20,22,26H,5,21H2,1-4H3;1H

InChIKey

CGJVQYXNMYLDBV-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)([C@@H](OC(c1ccccc1)=O)CC)C[C@@H]([NH+](C)C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 206mg/kg (206mg/kg)   Journal of the American Chemical Society. Vol. 71, Pg. 57, 1949.
mouse LD50 subcutaneous 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 98, Pg. 121, 1950.