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Substance Name: Quinolinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, hydrate (1:1:3)
RN: 147366-58-3
InChIKey: QQSNJOYFSVBBKK-PHEASTCWSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H24-N3-O-S2.C2-H3-O2.3H2-O

Molecular Weight

  • 505.6603
 
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Names and Synonyms

  • Quinolinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, hydrate (1:1:3)

Registry Numbers

CAS Registry Number

  • 147366-58-3

System Generated Number

  • 0147366583

Molecular Formulas

Molecular Formula

  • C25-H24-N3-O-S2.C2-H3-O2.3H2-O

Molecular Formula Fragments

  • C2-H3-O2
  • C25-H24-N3-O-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H24N3OS2.C2H4O2/c1-4-27-18(15-14-17-10-6-7-11-19(17)27)16-22-28(5-2)24(29)23(31-22)25-26(3)20-12-8-9-13-21(20)30-25;1-2(3)4/h6-16H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1/b25-23+;

InChIKey

QQSNJOYFSVBBKK-PHEASTCWSA-M

Smiles

CCn1/c(=C/c2ccc3ccccc3[n+]2CC)/s/c(=C/4\N(c5ccccc5S4)C)/c1=O.CC(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 41, Pg. 130, 1998.
mouse LD50 intravenous 5mg/kg (5mg/kg)   Journal of Medicinal Chemistry. Vol. 41, Pg. 130, 1998.