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Substance Name: 4-Morpholinepropanamine, N-4-pyridinyl-N-(3-(trifluoromethyl)phenyl)-beta,2,6-trimethyl-, mono(2-hydroxybenzoate)
RN: 21937-03-1
InChIKey: OLZKQBUPRAKZAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-F3-N3-O.C7-H6-O3

Molecular Weight

  • 545.599
 
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Names and Synonyms

  • 4-Morpholinepropanamine, N-4-pyridinyl-N-(3-(trifluoromethyl)phenyl)-beta,2,6-trimethyl-, mono(2-hydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 21937-03-1

System Generated Number

  • 0021937031

Molecular Formulas

Molecular Formula

  • C22-H28-F3-N3-O.C7-H6-O3

Molecular Formula Fragments

  • C22-H28-F3-N3-O
  • C7-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28F3N3O.C7H6O3/c1-16(12-27-14-17(2)29-18(3)15-27)13-28(20-7-9-26-10-8-20)21-6-4-5-19(11-21)22(23,24)25;8-6-4-2-1-3-5(6)7(9)10/h4-11,16-18H,12-15H2,1-3H3;1-4,8H,(H,9,10)

InChIKey

OLZKQBUPRAKZAT-UHFFFAOYSA-N

Smiles

C1[C@@H](C)O[C@@H](C)CN1C[C@@H](C)CN(c1cc(C(F)(F)F)ccc1)c1ccncc1.C(c1c(cccc1)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 80mg/kg (80mg/kg)   United States Patent Document. Vol. #3928341,