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Substance Name: Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)-, citrate
RN: 3218-37-9
InChIKey: RAAJXWASYMJQFQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-F3-N-O.C6-H8-O7

Molecular Weight

  • 585.612
 
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Names and Synonyms

Synonym

  • N,N-Diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)pentylamine citrate

Systematic Name

  • Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)-, citrate

Registry Numbers

CAS Registry Number

  • 3218-37-9

System Generated Number

  • 0003218379

Molecular Formulas

Molecular Formula

  • C23-H30-F3-N-O.C6-H8-O7

Molecular Formula Fragments

  • C23-H30-F3-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30F3NO.C6H8O7/c1-4-27(5-2)17-11-12-18(3)28-22(19-13-7-6-8-14-19)20-15-9-10-16-21(20)23(24,25)26;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-16,18,22H,4-5,11-12,17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

RAAJXWASYMJQFQ-UHFFFAOYSA-N

Smiles

N(CC)(CC)CCC[C@@H](O[C@@H](c1ccccc1)c1c(cccc1)C(F)(F)F)C.C(CC(O)(C(=O)O)CC(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 20mg/kg (20mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.
mouse LDLo oral 300mg/kg (300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.