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Substance Name: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoate (ester)
RN: 28003-34-1
InChIKey: YYLSBHORNBUNEV-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C50-H56-N4-O6.2Br

Molecular Weight

  • 968.822
 
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Names and Synonyms

  • Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoate (ester)

Registry Numbers

CAS Registry Number

  • 28003-34-1

System Generated Number

  • 0028003341

Molecular Formulas

Molecular Formula

  • C50-H56-N4-O6.2Br

Molecular Formula Fragments

  • Br
  • C50-H56-N4-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C50H56N4O6.2BrH/c1-53(2,33-43-19-11-13-29-49(43,35-51)59-47(57)41-15-7-5-8-16-41)45(55)31-37-21-25-39(26-22-37)40-27-23-38(24-28-40)32-46(56)54(3,4)34-44-20-12-14-30-50(44,36-52)60-48(58)42-17-9-6-10-18-42;;/h5-10,15-18,21-28,43-44H,11-14,19-20,29-34H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

YYLSBHORNBUNEV-UHFFFAOYSA-L

Smiles

O([C@@]1([C@@H](C[N+](C(Cc2ccc(c3ccc(CC([N+](C[C@@H]4[C@@](OC(c5ccccc5)=O)(CCCC4)C#N)(C)C)=O)cc3)cc2)=O)(C)C)CCCC1)C#N)C(c1ccccc1)=O.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4200ug/kg (4.2mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
European Journal of Pharmacology. Vol. 8, Pg. 127, 1969.