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Substance Name: Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate
RN: 4236-45-7
InChIKey: SXHUOQPWUIMESD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H28-F-N-O.C2-H2-O4

Molecular Weight

  • 467.534
 
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Names and Synonyms

Synonyms

  • 1-Butanol, 1-p-fluorophenyl-3-methylphenethylamino-1-phenyl-, oxalate
  • 4-Fluoro-alpha-(3-(methylphenethylamino)propyl)benzhydrol oxalate

Systematic Name

  • Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 4236-45-7

System Generated Number

  • 0004236457

Molecular Formulas

Molecular Formula

  • C25-H28-F-N-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H28-F-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C25H28FNO.C2H2O4/c1-27(20-17-21-9-4-2-5-10-21)19-8-18-25(28,22-11-6-3-7-12-22)23-13-15-24(26)16-14-23;3-1(4)2(5)6/h2-7,9-16,28H,8,17-20H2,1H3;(H,3,4)(H,5,6)

InChIKey

SXHUOQPWUIMESD-UHFFFAOYSA-N

Smiles

c1([C@@](CCC[N@@](CCc2ccccc2)C)(O)c2ccccc2)ccc(F)cc1.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 375mg/kg (375mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 836, 1965.