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Substance Name: Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate
RN: 74050-99-0
InChIKey: MNYPDINJULTHSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-F3-N-O.C6-H8-O7.1/2H2-O

Molecular Weight

  • 1189.2392
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 74050-99-0

System Generated Number

  • 0074050990

Molecular Formulas

Molecular Formula

  • C23-H30-F3-N-O.C6-H8-O7.1/2H2-O

Molecular Formula Fragments

  • C23-H30-F3-N-O
  • C6-H8-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C23H30F3NO.2C6H8O7.H2O/c2*1-4-27(5-2)16-10-11-18(3)28-22(19-12-7-6-8-13-19)20-14-9-15-21(17-20)23(24,25)26;2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*6-9,12-15,17-18,22H,4-5,10-11,16H2,1-3H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2

InChIKey

MNYPDINJULTHSX-UHFFFAOYSA-N

Smiles

CCN(CC)CCCC(C)OC(c1ccccc1)c2cccc(c2)C(F)(F)F.CCN(CC)CCCC(C)OC(c1ccccc1)c2cccc(c2)C(F)(F)F.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.