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Substance Name: Merocyanine 540
RN: 62796-23-0
UNII: BS0KSN6L1U
InChIKey: OSQUFVVXNRMSHL-UFZWEZEMSA-M

Molecular Formulas

  • C26-H32-N3-O6-S2.Na
  • C26-H33-N3-O6-S2.Na

Molecular Weight

  • 569.676
 
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Names and Synonyms

Name of Substance

  • Merocyanine 540

Synonyms

  • MC 540
  • Merocyanine 540
  • NK 2272
  • UNII-BS0KSN6L1U

Systematic Names

  • 3(2H)-Benzoxazolepropanesulfonic acid, 2-(4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene)-, sodium salt (1:1)
  • 3(2H)-Benzoxazolepropanesulfonic acid, 2-(4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene)-, sodium salt

Registry Numbers

CAS Registry Number

  • 62796-23-0

FDA UNII

  • BS0KSN6L1U

System Generated Number

  • 0062796230

Molecular Formulas

Molecular Formulas

  • C26-H32-N3-O6-S2.Na
  • C26-H33-N3-O6-S2.Na

Molecular Formula Fragments

  • C26-H32-N3-O6-S2
  • C26-H33-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7-,23-15-;

InChIKey

OSQUFVVXNRMSHL-UFZWEZEMSA-M

Smiles

N\1(c2c(cccc2)OC1=C\C=C/C=C1\C(N(C(=S)N(C1=O)CCCC)CCCC)=O)CCCS(=O)(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 84mg/kg (84mg/kg)   United States Patent Document. Vol. #4775625,