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Substance Name: Trisdine
RN: 123354-94-9
InChIKey: DTGFBBFYTMOQGC-ZMPKAQECSA-N

Note

  • Drug combination consisting of chlorhexidine gluconate, EDTA, & Tris buffer.

Molecular Formula

  • C6-H12-O7.1/2C22-H30-Cl2-N10.1/2C10-H16-N2-O8

Molecular Weight

  • 1190.005
 
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Names and Synonyms

Name of Substance

  • Trisdine

Systematic Name

  • D-Gluconic acid, compd. with N,N''-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1), mixt. with N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycine)

Registry Numbers

CAS Registry Number

  • 123354-94-9

System Generated Number

  • 0123354949

Molecular Formulas

Molecular Formula

  • C6-H12-O7.1/2C22-H30-Cl2-N10.1/2C10-H16-N2-O8

Molecular Formula Fragments

  • C10-H16-N2-O8
  • C22-H30-Cl2-N10
  • C6-H12-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30Cl2N10.C10H16N2O8.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*2-5,7-11H,1H2,(H,12,13)/t;;2*2-,3-,4+,5-/m..11/s1

InChIKey

DTGFBBFYTMOQGC-ZMPKAQECSA-N

Smiles

c1cc(ccc1NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl)Cl.C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O