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Substance Name: Pyrido(2,1-b)benzothiazolium, 1,2,3,4-tetrahydro-4-(3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)-, acetate
RN: 142307-19-5
InChIKey: WTIOIMBUVPNNIZ-UUTNPJQJSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H22-N3-O-S3.C2-H3-O2

Molecular Weight

  • 523.6995
 
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Names and Synonyms

  • Pyrido(2,1-b)benzothiazolium, 1,2,3,4-tetrahydro-4-(3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)-, acetate

Registry Numbers

CAS Registry Number

  • 142307-19-5

System Generated Number

  • 0142307195

Molecular Formulas

Molecular Formula

  • C24-H22-N3-O-S3.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C24-H22-N3-O-S3
  • COMPONENT

Structure Descriptors

InChI

1S/C24H22N3OS3.C2H4O2/c1-3-26-21(28)20(24-25(2)16-10-4-6-12-18(16)30-24)31-22(26)15-9-8-14-27-17-11-5-7-13-19(17)29-23(15)27;1-2(3)4/h4-7,10-13H,3,8-9,14H2,1-2H3;1H3,(H,3,4)/q+1;/p-1/b24-20+;

InChIKey

WTIOIMBUVPNNIZ-UUTNPJQJSA-M

Smiles

CCn\1c(=O)/c(=C\2/N(c3ccccc3S2)C)/s/c1=C/4\CCC[n+]5c4sc6c5cccc6.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 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 41, Pg. 130, 1998.