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Substance Name: 1,3-Propanediol, ((9-anthracenylmethyl)amino)-2-methyl-, hydrochloride
RN: 96538-95-3
InChIKey: YPXKFXNSOCPMAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N-O2.Cl-H

Molecular Weight

  • 331.841
 
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Names and Synonyms

Synonym

  • ((9-Anthracenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride

Systematic Name

  • 1,3-Propanediol, ((9-anthracenylmethyl)amino)-2-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 96538-95-3

System Generated Number

  • 0096538953

Molecular Formulas

Molecular Formula

  • C19-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C19-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21NO2.ClH/c1-13(12-21)19(22)20-11-18-16-8-4-2-6-14(16)10-15-7-3-5-9-17(15)18;/h2-10,13,19-22H,11-12H2,1H3;1H

InChIKey

YPXKFXNSOCPMAL-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](O)NCc1c2ccccc2cc2ccccc12)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD20 unreported 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 1983, 1991.