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Substance Name: Alazanine triclofenate [INN]
RN: 5779-59-9
UNII: 18V0PLQ75G
InChIKey: PLQBHQQNSXWTNI-UHFFFAOYSA-M

Molecular Formula

  • C27-H23-Cl3-N2-O-S2.2C6-H3-Cl3-O

Molecular Weight

  • 956.8781
 
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Names and Synonyms

Name of Substance

  • Alazanine triclofenate [INN]

Synonyms

  • 2-(3-(3-Ethyl-2,3-dihydro-2-benzothiazolyliden)-1-propenl)-3-ethylbenzothiazolium 2,4,5-trichlorphenolat als gemisch mit 2-mol 2,4,5-trichlorphenol
  • A mixture of one molecule of 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)propenyl)benzothiazolium 2,4,5-trichlorophenate and two molecules of 2,4,5-trichlorophenol
  • Alazanine triclofenate
  • Alazanini triclofenas
  • Mixture of one molecule of 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)propenyl)benzothiazolium 2,4,5-trichlorophenolate and two molecules of 2,4,5-trichlorophenol
  • Triclofenate d'alazanine
  • Triclofenato de alazanina
  • UNII-18V0PLQ75G

Registry Numbers

CAS Registry Number

  • 5779-59-9

FDA UNII

  • 18V0PLQ75G

System Generated Number

  • 0005779599

Molecular Formulas

Molecular Formula

  • C27-H23-Cl3-N2-O-S2.2C6-H3-Cl3-O

Molecular Formula Fragments

  • C27-H23-Cl3-N2-O-S2
  • C6-H3-Cl3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21N2S2.3C6H3Cl3O/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;3*7-3-1-5(9)6(10)2-4(3)8/h5-15H,3-4H2,1-2H3;3*1-2,10H/q+1;;;/p-1

InChIKey

PLQBHQQNSXWTNI-UHFFFAOYSA-M

Smiles

CCN1\C(=C/C=C/c2sc3ccccc3[n+]2CC)\Sc4ccccc14.Oc5cc(Cl)c(Cl)cc5Cl.Oc6cc(Cl)c(Cl)cc6Cl.[O-]c7cc(Cl)c(Cl)cc7Cl