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Substance Name: Fla 797
RN: 84226-14-2
InChIKey: PWEZBNRZEHPIIQ-JTQLQIEISA-N

Note

  • Dopamine D2 receptor antagonist; metabolite of remoxipride.

Molecular Formula

  • C15-H21-Br-N2-O3

Molecular Weight

  • 357.246
 
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Names and Synonyms

Name of Substance

  • Fla 797

Synonyms

  • 3-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxybenzamide
  • Fla-797

Systematic Name

  • Benzamide, 3-bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (S)-

Registry Numbers

CAS Registry Number

  • 84226-14-2

System Generated Number

  • 0084226142

Structure Descriptors

InChI

1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1

InChIKey

PWEZBNRZEHPIIQ-JTQLQIEISA-N

Smiles

Oc1c(Br)ccc(OC)c1C(=O)NC[C@@H]1CCC[N@@]1CC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2 (none)   EXP
Water Solubility 417 mg/L 25 EST
Vapor Pressure 1.37E-10 mm Hg 25 EST
Henry's Law Constant 1.02E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.08E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.