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Substance Name: Benzyl alcohol, alpha-butylaminomethyl-3-fluoro-, hydrobromide
RN: 582-42-3
InChIKey: PSCSSZVPGRTKPV-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-F-N-O.Br-H

Molecular Weight

  • 292.19
 
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Names and Synonyms

Synonym

  • alpha-Butylaminomethyl-3-fluorobenzyl alcohol hydrobromide

Systematic Name

  • Benzyl alcohol, alpha-butylaminomethyl-3-fluoro-, hydrobromide

Registry Numbers

CAS Registry Number

  • 582-42-3

System Generated Number

  • 0000582423

Molecular Formulas

Molecular Formula

  • C12-H17-F-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C12-H17-F-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18FNO.BrH/c1-2-3-7-14-9-12(15)10-5-4-6-11(13)8-10;/h4-6,8,12,14-15H,2-3,7,9H2,1H3;1H

InChIKey

PSCSSZVPGRTKPV-UHFFFAOYSA-N

Smiles

c1([C@@H](CNCCCC)O)cc(ccc1)F.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 440, 1952.
mouse LD50 intravenous 32mg/kg (32mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 440, 1952.