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Substance Name: 1,3-Propanediol, 2-((benz(a)anthracen-7-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
RN: 104500-07-4
InChIKey: ILCSXLQSNFIULT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H23-N-O2.C-H4-O3-S

Molecular Weight

  • 441.545
 
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Names and Synonyms

Synonyms

  • 2-((Benz(a)anthracen-7-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate
  • 2-((Benz(a)anthracen-7-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt)

Systematic Name

  • 1,3-Propanediol, 2-((benz(a)anthracen-7-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 104500-07-4

System Generated Number

  • 0104500074

Molecular Formulas

Molecular Formula

  • C23-H23-N-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H23-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H23NO2.CH4O3S/c1-23(14-25,15-26)24-13-22-19-9-5-3-7-17(19)12-21-18-8-4-2-6-16(18)10-11-20(21)22;1-5(2,3)4/h2-12,24-26H,13-15H2,1H3;1H3,(H,2,3,4)

InChIKey

ILCSXLQSNFIULT-UHFFFAOYSA-N

Smiles

C(C(C)(NCc1c2ccc3c(c2cc2ccccc12)cccc3)CO)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD20 unreported 220mg/kg (220mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 1983, 1991.