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Substance Name: Benzoxazolium, 3-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, hydrate (1:1:2)
RN: 142307-40-2
InChIKey: ZWIFAAWDVNXFLZ-FKWCIMQXSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H22-N3-O2-S2.C2-H3-O2.2H2-O

Molecular Weight

  • 495.6215
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 142307-40-2

System Generated Number

  • 0142307402

Molecular Formulas

Molecular Formula

  • C23-H22-N3-O2-S2.C2-H3-O2.2H2-O

Molecular Formula Fragments

  • C2-H3-O2
  • C23-H22-N3-O2-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H22N3O2S2.C2H4O2/c1-4-25-15-10-6-8-12-17(15)28-19(25)14-20-26(5-2)22(27)21(30-20)23-24(3)16-11-7-9-13-18(16)29-23;1-2(3)4/h6-14H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1/b23-21+;

InChIKey

ZWIFAAWDVNXFLZ-FKWCIMQXSA-M

Smiles

CCn1/c(=C/c2[n+](c3ccccc3o2)CC)/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 5mg/kg (5mg/kg)   Journal of Medicinal Chemistry. Vol. 41, Pg. 130, 1998.
mouse LD50 intravenous > 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 41, Pg. 130, 1998.