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Substance Name: 1,3-Propanediol, 2-(((4,5-dihydro-6-acephenanthrylenyl)methyl)amino)-2-methyl-, methanesulfonate (salt)
RN: 104500-28-9
InChIKey: QJAZJDBFWXJMLA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O2.C-H4-O3-S

Molecular Weight

  • 417.523
 
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Names and Synonyms

Synonym

  • 2-(((4,5-Dihydro-6-acephenanthrylenyl)methyl)amino)-2-methyl-1,3-propanediol methanesulfonate

Systematic Name

  • 1,3-Propanediol, 2-(((4,5-dihydro-6-acephenanthrylenyl)methyl)amino)-2-methyl-, methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 104500-28-9

System Generated Number

  • 0104500289

Molecular Formulas

Molecular Formula

  • C21-H23-N-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H23-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO2.CH4O3S/c1-21(12-23,13-24)22-11-19-16-7-3-2-6-15(16)17-8-4-5-14-9-10-18(19)20(14)17;1-5(2,3)4/h2-8,22-24H,9-13H2,1H3;1H3,(H,2,3,4)

InChIKey

QJAZJDBFWXJMLA-UHFFFAOYSA-N

Smiles

C(C(C)(NCc1c2CCc3cccc(c4ccccc14)c23)CO)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD20 unreported 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 1983, 1991.