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Substance Name: Bromo-seltzer
RN: 53663-70-0
InChIKey: QHFUFLZBJLGDTR-UHFFFAOYSA-L

Molecular Formula

  • C10-H13-N-O2.C8-H10-N4-O2.C8-H9-N-O2.C6-H8-O7.C-H2-O3.Br-K.Na

Molecular Weight

  • 919.705
 
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Names and Synonyms

Results Name

  • Bromo-seltzer

Synonyms

  • 2-Hydroxy-1,2,4-propanetricarboxylic acid mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N-(4-ethoxyphenyl)acetamide, N-(4-hydroxyphenyl)acetamide, potassium bromide (KBr) and sodium hydrogen carbonate
  • Bromo-seltzer

Systematic Name

  • 1,2,4-Propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N-(4-ethoxyphenyl)acetamide, N-(4-hydroxyphenyl)acetamide, potassium bromide (KBr) and sodium hydrogen carbonate

Registry Numbers

CAS Registry Number

  • 53663-70-0

System Generated Number

  • 0053663700

Molecular Formulas

Molecular Formula

  • C10-H13-N-O2.C8-H10-N4-O2.C8-H9-N-O2.C6-H8-O7.C-H2-O3.Br-K.Na

Molecular Formula Fragments

  • Br-K
  • C-H2-O3
  • C10-H13-N-O2
  • C6-H8-O7
  • C8-H10-N4-O2
  • C8-H9-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C10H13NO2.C8H10N4O2.C8H9NO2.C6H8O7.CH2O3.BrH.K.Na/c1-3-13-10-6-4-9(5-7-10)11-8(2)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-6(10)9-7-2-4-8(11)5-3-7;7-3(8)1-6(13,5(11)12)2-4(9)10;2-1(3)4;;;/h4-7H,3H2,1-2H3,(H,11,12);4H,1-3H3;2-5,11H,1H3,(H,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);(H2,2,3,4);1H;;/q;;;;;;2*+1/p-2

InChIKey

QHFUFLZBJLGDTR-UHFFFAOYSA-L

Smiles

[Na+].C(O)(=O)[O-].[K+].C(C)(=O)Nc1ccc(O)cc1.[BrH-].C(C)(=O)Nc1ccc(OCC)cc1.n1(cnc2n(c(n(c(c12)=O)C)=O)C)C.C(C(CC(=O)O)(C(=O)O)O)C(=O)O