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Substance Name: (1,4-Diethoxybenzene)bisatropinium dibromide
RN: 91318-09-1
InChIKey: HJQDWPXZVDIYNE-UHFFFAOYSA-L

Molecular Formula

  • C44-H58-N2-O8.2Br

Molecular Weight

  • 902.756
 
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Names and Synonyms

Name of Substance

  • (1,4-Diethoxybenzene)bisatropinium dibromide

Synonym

  • Deb-bisatropinium

Systematic Name

  • 8-Azoniabicyclo(3.2.1)octane, 8,8'-(1,4-phenylenebis(oxy-2,1-ethanediyl))bis(3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, dibromide

Registry Numbers

CAS Registry Number

  • 91318-09-1

System Generated Number

  • 0091318091

Molecular Formulas

Molecular Formula

  • C44-H58-N2-O8.2Br

Molecular Formula Fragments

  • Br
  • C44-H58-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C44H58N2O8.2BrH/c1-45(33-13-14-34(45)26-39(25-33)53-43(49)41(29-47)31-9-5-3-6-10-31)21-23-51-37-17-19-38(20-18-37)52-24-22-46(2)35-15-16-36(46)28-40(27-35)54-44(50)42(30-48)32-11-7-4-8-12-32;;/h3-12,17-20,33-36,39-42,47-48H,13-16,21-30H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

HJQDWPXZVDIYNE-UHFFFAOYSA-L

Smiles

c1(ccc(cc1)OCC[N+]1([C@@H]2CC(C[C@@H]1CC2)OC([C@@H](CO)c1ccccc1)=O)C)OCC[N+]1([C@@H]2CC(C[C@@H]1CC2)OC([C@@H](CO)c1ccccc1)=O)C.[BrH-].[BrH-]