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Substance Name: Ethanol, 2-(benzyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
RN: 17514-79-3
InChIKey: OQFRFTWOEXXJHL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-F-N-O-S.Cl-H

Molecular Weight

  • 351.871
 
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Names and Synonyms

Synonyms

  • 2-(Benzyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)ethanol hydrochloride
  • Ethanol, 2-(((5-fluorobenzo(b)thien-3-yl)methyl)(phenylmethyl)amino)-, hydrochloride

Systematic Name

  • Ethanol, 2-(benzyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 17514-79-3

System Generated Number

  • 0017514793

Molecular Formulas

Molecular Formula

  • C18-H18-F-N-O-S.Cl-H

Molecular Formula Fragments

  • C18-H18-F-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18FNOS.ClH/c19-16-6-7-18-17(10-16)15(13-22-18)12-20(8-9-21)11-14-4-2-1-3-5-14;/h1-7,10,13,21H,8-9,11-12H2;1H

InChIKey

OQFRFTWOEXXJHL-UHFFFAOYSA-N

Smiles

C(C[N@@](Cc1c2c(sc1)ccc(c2)F)Cc1ccccc1)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (5), Pg. 518, 1968.