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Substance Name: Benzhydrol, alpha-(2-amino-1-methylethyl)-3,3'-difluoro-, maleate
RN: 78109-93-0
InChIKey: YOPOVXKOSXQIOE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-F2-N-O.C4-H4-O4

Molecular Weight

  • 393.3839
 
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Names and Synonyms

Synonyms

  • 1,1-(3,3'-Difluorodiphenyl)-2-methyl-3-aminopropanol maleate
  • alpha-(2-Amino-1-methylethyl)-3,3'-difluorobenzhydrol maleate

Systematic Name

  • Benzhydrol, alpha-(2-amino-1-methylethyl)-3,3'-difluoro-, maleate

Registry Numbers

CAS Registry Number

  • 78109-93-0

System Generated Number

  • 0078109930

Molecular Formulas

Molecular Formula

  • C16-H17-F2-N-O.C4-H4-O4

Molecular Formula Fragments

  • C16-H17-F2-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H17F2NO.C4H4O4/c17-13-5-1-3-11(7-13)8-15(16(20)10-19)12-4-2-6-14(18)9-12;5-3(6)1-2-4(7)8/h1-7,9,15-16,20H,8,10,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YOPOVXKOSXQIOE-WLHGVMLRSA-N

Smiles

c1cc(cc(c1)F)CC(c2cccc(c2)F)C(CN)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1106, 1971.