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Substance Name: 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride
RN: 96404-51-2
InChIKey: XPSPHVAGYMFPFA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N-O2.Cl-H

Molecular Weight

  • 355.8628
 
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Names and Synonyms

Synonyms

  • 2-((3-Fluoranthenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride
  • BW-A 773U

Systematic Name

  • 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 96404-51-2

System Generated Number

  • 0096404512

Molecular Formulas

Molecular Formula

  • C21-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C21-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21NO2.ClH/c1-21(12-23,13-24)22-11-14-9-10-19-17-6-3-2-5-16(17)18-8-4-7-15(14)20(18)19;/h2-10,22-24H,11-13H2,1H3;1H

InChIKey

XPSPHVAGYMFPFA-UHFFFAOYSA-N

Smiles

C(C(CO)(C)NCc1ccc2c3ccccc3c3cccc1c23)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD20 unreported 110mg/kg (110mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 1983, 1991.