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Substance Name: 4-Morpholinepropanamine, 2,6-dimethyl-N-4-pyridinyl-N-(3-(trifluoromethyl)phenyl)-, mono(2-hydroxybenzoate)
RN: 59235-70-0
InChIKey: ZQTMMBOVFUUQOO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-F3-N3-O.C7-H6-O3

Molecular Weight

  • 531.5718
 
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Names and Synonyms

Synonym

  • 2,6-Dimethyl-N-4-pyridinyl-N-(3-(trifluoromethyl)phenyl)-4-morpholinepropanamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59235-70-0

System Generated Number

  • 0059235700

Molecular Formulas

Molecular Formula

  • C21-H26-F3-N3-O.C7-H6-O3

Molecular Formula Fragments

  • C21-H26-F3-N3-O
  • C7-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26F3N3O.C7H6O3/c1-16-14-26(15-17(2)28-16)11-4-12-27(19-7-9-25-10-8-19)20-6-3-5-18(13-20)21(22,23)24;8-6-4-2-1-3-5(6)7(9)10/h3,5-10,13,16-17H,4,11-12,14-15H2,1-2H3;1-4,8H,(H,9,10)

InChIKey

ZQTMMBOVFUUQOO-UHFFFAOYSA-N

Smiles

CC1CN(CC(O1)C)CCCN(c2ccncc2)c3cccc(c3)C(F)(F)F.c1ccc(c(c1)C(=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,