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Substance Name: Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoate (ester)
RN: 28003-38-5
InChIKey: YODOGGJDIBQVJZ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H52-N4-O6.2Br

Molecular Weight

  • 892.725
 
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Names and Synonyms

  • Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoate (ester)

Registry Numbers

CAS Registry Number

  • 28003-38-5

System Generated Number

  • 0028003385

Molecular Formulas

Molecular Formula

  • C44-H52-N4-O6.2Br

Molecular Formula Fragments

  • Br
  • C44-H52-N4-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C44H52N4O6.2BrH/c1-47(2,27-37-19-11-13-25-43(37,31-45)53-41(51)35-15-7-5-8-16-35)29-39(49)33-21-23-34(24-22-33)40(50)30-48(3,4)28-38-20-12-14-26-44(38,32-46)54-42(52)36-17-9-6-10-18-36;;/h5-10,15-18,21-24,37-38H,11-14,19-20,25-30H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

YODOGGJDIBQVJZ-UHFFFAOYSA-L

Smiles

O([C@@]1([C@@H](C[N+](CC(c2ccc(C(C[N+](C[C@@H]3[C@@](OC(c4ccccc4)=O)(CCCC3)C#N)(C)C)=O)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 13800ug/kg (13.8mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

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