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Substance Name: 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, compd. with N-methylmethanamine (1:2)
RN: 68310-05-4
InChIKey: BIEKLYULCLRMFZ-UHFFFAOYSA-N

Molecular Formula

  • C27-H16-N2-O7-S2.2C2-H7-N

Molecular Weight

  • 662.7846
 
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Names and Synonyms

Synonym

  • EINECS 269-693-7

Systematic Names

  • 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, compd. with N-methylmethanamine (1:2)
  • 2,3-Dihydro-2-(6-(6-methyl-7-sulphobenzothiazol-2-yl)-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylic acid, compound with N-methylethylamine (1:2)

Registry Numbers

CAS Registry Number

  • 68310-05-4

System Generated Number

  • 0068310054

Molecular Formulas

Molecular Formula

  • C27-H16-N2-O7-S2.2C2-H7-N

Molecular Formula Fragments

  • C2-H7-N
  • C27-H16-N2-O7-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C27H16N2O7S2.2C3H9N/c1-12-2-7-20-24(25(12)38(34,35)36)37-26(29-20)14-5-8-18-13(10-14)4-9-19(28-18)21-22(30)16-6-3-15(27(32)33)11-17(16)23(21)31;2*1-3-4-2/h2-11,21H,1H3,(H,32,33)(H,34,35,36);2*4H,3H2,1-2H3

InChIKey

BIEKLYULCLRMFZ-UHFFFAOYSA-N

Smiles

CCNC.CCNC.Cc1ccc2c(c1S(=O)(=O)O)sc(n2)c3ccc4c(c3)ccc(n4)C5C(=O)c6ccc(cc6C5=O)C(=O)O