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Substance Name: Phenethylamine, beta-(sec-butyl)-3-chloro-N,N-dimethyl-4-propoxy-
RN: 27778-86-5
InChIKey: MBSYIRVXRYXKQC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-Cl-N-O

Molecular Weight

  • 297.867
 
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Names and Synonyms

Synonyms

  • beta-sec-Butyl-3-chloro-N,N-dimethyl-4-propoxyphenethylamine
  • BRN 2811168

Systematic Name

  • Phenethylamine, beta-(sec-butyl)-3-chloro-N,N-dimethyl-4-propoxy-

Registry Numbers

CAS Registry Number

  • 27778-86-5

System Generated Number

  • 0027778865

Structure Descriptors

InChI

1S/C17H28ClNO/c1-6-10-20-17-9-8-14(11-16(17)18)15(12-19(4)5)13(3)7-2/h8-9,11,13,15H,6-7,10,12H2,1-5H3

InChIKey

MBSYIRVXRYXKQC-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)OCCC)Cl)[C@@H](CN(C)C)[C@@H](CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 53mg/kg (53mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 453, 1971.
rat LD50 oral 741mg/kg (741mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 453, 1971.