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Substance Name: 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride
RN: 133550-87-5
InChIKey: SDKDIEQWWJOVPN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O2.Cl-H

Molecular Weight

  • 361.91
 
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Names and Synonyms

Synonym

  • 2-(((1,2,3,6,7,8-Hexahydro-4-pyrenyl)methyl)amino)-2-methyl-1,3-propanediol hydrochloride

Systematic Name

  • 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 133550-87-5

System Generated Number

  • 0133550875

Molecular Formulas

Molecular Formula

  • C21-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C21-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO2.ClH/c1-21(12-23,13-24)22-11-17-10-16-6-2-4-14-8-9-15-5-3-7-18(17)20(15)19(14)16;/h8-10,22-24H,2-7,11-13H2,1H3;1H

InChIKey

SDKDIEQWWJOVPN-UHFFFAOYSA-N

Smiles

C(C(CO)(C)NCc1c2CCCc3ccc4CCCc(c1)c4c23)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD unreported > 151mg/kg (151mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 1983, 1991.