Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Propanediol, 2-((4H-cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
RN: 104500-26-7
InChIKey: KCYUQEVWRSFZDW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O2.C-H4-O3-S

Molecular Weight

  • 403.496
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate

Systematic Name

  • 1,3-Propanediol, 2-((4H-cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 104500-26-7

System Generated Number

  • 0104500267

Molecular Formulas

Molecular Formula

  • C20-H21-N-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H21-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21NO2.CH4O3S/c1-20(11-22,12-23)21-10-16-6-5-15-9-14-4-2-3-13-7-8-17(16)19(15)18(13)14;1-5(2,3)4/h2-8,21-23H,9-12H2,1H3;1H3,(H,2,3,4)

InChIKey

KCYUQEVWRSFZDW-UHFFFAOYSA-N

Smiles

C(C(C)(NCc1ccc2Cc3cccc4ccc1c2c34)CO)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD20 unreported 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 1983, 1991.