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Substance Name: 1,3-Propanediamine, N-ethyl-N'-(6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-, hemihydrate
RN: 83947-99-3
InChIKey: RUPSDCVSULNLGQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N5.1/2H2-O

Molecular Weight

  • 333.4367
 
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Names and Synonyms

  • 1,3-Propanediamine, N-ethyl-N'-(6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-, hemihydrate

Registry Numbers

CAS Registry Number

  • 83947-99-3

System Generated Number

  • 0083947993

Molecular Formulas

Molecular Formula

  • C20-H23-N5.1/2H2-O

Molecular Formula Fragments

  • C20-H23-N5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H23N5/c1-3-21-7-4-8-23-20-16-11-15-17-12-22-9-6-18(17)25-19(15)13(2)14(16)5-10-24-20/h5-6,9-12,21,25H,3-4,7-8H2,1-2H3,(H,23,24)

InChIKey

RUPSDCVSULNLGQ-UHFFFAOYSA-N

Smiles

CCNCCCNc1c2cc3c4cnccc4[nH]c3c(c2ccn1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 26, Pg. 181, 1983.