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Substance Name: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate (ester)
RN: 28003-33-0
InChIKey: XMKHZBBXJIPYHO-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H52-N4-O6.2Br

Molecular Weight

  • 844.681
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 28003-33-0

System Generated Number

  • 0028003330

Molecular Formulas

Molecular Formula

  • C40-H52-N4-O6.2Br

Molecular Formula Fragments

  • Br
  • C40-H52-N4-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C40H52N4O6.2BrH/c1-29(45)49-39(27-41)21-9-7-11-35(39)25-43(3,4)37(47)23-31-13-17-33(18-14-31)34-19-15-32(16-20-34)24-38(48)44(5,6)26-36-12-8-10-22-40(36,28-42)50-30(2)46;;/h13-20,35-36H,7-12,21-26H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

XMKHZBBXJIPYHO-UHFFFAOYSA-L

Smiles

C1[C@@]([C@@H](C[N+](C(Cc2ccc(c3ccc(CC([N+](C[C@@H]4[C@@](CCCC4)(OC(C)=O)C#N)(C)C)=O)cc3)cc2)=O)(C)C)CCC1)(OC(C)=O)C#N.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10600ug/kg (10.6mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

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