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Substance Name: Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)
RN: 67293-21-4
InChIKey: BTTMOTKCBSRTFY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O2

Molecular Weight

  • 325.4493
 
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Names and Synonyms

Synonym

  • N-Ethyl-N-(4-hydroxybutyl)phenethylamine benzoate

Systematic Name

  • Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)

Registry Numbers

CAS Registry Number

  • 67293-21-4

System Generated Number

  • 0067293214

Structure Descriptors

InChI

1S/C21H27NO2/c1-2-22(17-15-19-11-5-3-6-12-19)16-9-10-18-24-21(23)20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3

InChIKey

BTTMOTKCBSRTFY-UHFFFAOYSA-N

Smiles

CCN(CCCCOC(=O)c1ccccc1)CCc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.