Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-((4-pyridinylmethyl)amino)propyl)-2,2,5,5-tetramethyl-, bis(4-methylbenzenesulfonate), hydrate
RN: 93798-86-8
InChIKey: KAXGEVFKPCIEKO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N4-O.2C7-H8-O3-S.H2-O

Molecular Weight

  • 678.8674
 
* 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

  • 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-((4-pyridinylmethyl)amino)propyl)-2,2,5,5-tetramethyl-, bis(4-methylbenzenesulfonate), hydrate

Registry Numbers

CAS Registry Number

  • 93798-86-8

Other Registry Number

  • 102132-10-5

System Generated Number

  • 0093798868

Molecular Formulas

Molecular Formula

  • C18-H28-N4-O.2C7-H8-O3-S.H2-O

Molecular Formula Fragments

  • C18-H28-N4-O
  • C7-H8-O3-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H28N4O.2C7H8O3S.H2O/c1-17(2)12-15(18(3,4)22-17)16(23)21-9-5-8-20-13-14-6-10-19-11-7-14;2*1-6-2-4-7(5-3-6)11(8,9)10;/h6-7,10-12,20,22H,5,8-9,13H2,1-4H3,(H,21,23);2*2-5H,1H3,(H,8,9,10);1H2

InChIKey

KAXGEVFKPCIEKO-UHFFFAOYSA-N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 94mg/kg (94mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1138, 1986.