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Substance Name: Benzoic acid, 2-(diethylamino)-3-hydroxy-3-phenylpropyl ester
RN: 78329-95-0
InChIKey: TUUQNMFXJDKNHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O3

Molecular Weight

  • 327.422
 
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Names and Synonyms

Synonyms

  • 2-Diethylamino-3-hydroxy-3-phenylpropyl benzoate
  • gamma-Phenyl-gamma-hydroxy-beta-(diethylamino)propyl benzoate

Systematic Name

  • Benzoic acid, 2-(diethylamino)-3-hydroxy-3-phenylpropyl ester

Registry Numbers

CAS Registry Number

  • 78329-95-0

System Generated Number

  • 0078329950

Structure Descriptors

InChI

1S/C20H25NO3/c1-3-21(4-2)18(19(22)16-11-7-5-8-12-16)15-24-20(23)17-13-9-6-10-14-17/h5-14,18-19,22H,3-4,15H2,1-2H3

InChIKey

TUUQNMFXJDKNHU-UHFFFAOYSA-N

Smiles

N([C@@H]([C@@H](c1ccccc1)O)COC(c1ccccc1)=O)(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 7700ug/kg (7.7mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 369, 1938.
mouse LDLo subcutaneous 210ug/kg (0.21mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 62, Pg. 252, 1938.