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Substance Name: Isoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)- 2,4-pentadienylidene)-, chloride, hydrate
RN: 72017-52-8
InChIKey: KWNDDHYFTHVEEE-ZLAUTODCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N2.Cl.H2-O

Molecular Weight

  • 364.918
 
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Names and Synonyms

  • Isoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)- 2,4-pentadienylidene)-, chloride, hydrate

Registry Numbers

CAS Registry Number

  • 72017-52-8

System Generated Number

  • 0072017528

Molecular Formulas

Molecular Formula

  • C23-H25-N2.Cl.H2-O

Molecular Formula Fragments

  • C23-H25-N2
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H24N2.ClH/c1(2-13-22-21-12-5-3-9-19(21)15-16-24-22)7-17-25-18-8-11-20-10-4-6-14-23(20)25;/h1-7,9-10,12-14,17,24H,8,11,15-16,18H2;1H/b2-1+,17-7+,22-13-;

InChIKey

KWNDDHYFTHVEEE-ZLAUTODCSA-N

Smiles

c\12c(CC[NH+]C1=C\C=C\C=C\N1c3c(CCC1)cccc3)cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.