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Substance Name: Ethanol, 2,2'-((3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)propyl)imino)di-, hydrate (2:1)
RN: 83948-03-2
InChIKey: PFEOFMHSVQDDNO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N5-O2.1/2H2-O

Molecular Weight

  • 393.4883
 
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Names and Synonyms

  • Ethanol, 2,2'-((3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)propyl)imino)di-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 83948-03-2

System Generated Number

  • 0083948032

Molecular Formulas

Molecular Formula

  • C22-H27-N5-O2.1/2H2-O

Molecular Formula Fragments

  • C22-H27-N5-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H27N5O2/c1-15-16-3-7-25-22(24-5-2-8-27(9-11-28)10-12-29)18(16)13-17-19-14-23-6-4-20(19)26-21(15)17/h3-4,6-7,13-14,26,28-29H,2,5,8-12H2,1H3,(H,24,25)

InChIKey

PFEOFMHSVQDDNO-UHFFFAOYSA-N

Smiles

Cc1c2ccnc(c2cc3c1[nH]c4c3cncc4)NCCCN(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 26, Pg. 181, 1983.