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Substance Name: Ammonium, (4,4'-biphenylenebis(2-oxoethylene))bis(dimethyl(1,1-dimethyl-2-hydroxyethyl)-, dibromide, hemihydrate
RN: 15172-75-5
InChIKey: IYXDIKWOSVOXRQ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H42-N2-O4.2Br.1/2H2-O

Molecular Weight

  • 630.458
 
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Names and Synonyms

  • Ammonium, (4,4'-biphenylenebis(2-oxoethylene))bis(dimethyl(1,1-dimethyl-2-hydroxyethyl)-, dibromide, hemihydrate

Registry Numbers

CAS Registry Number

  • 15172-75-5

System Generated Number

  • 0015172755

Molecular Formulas

Molecular Formula

  • C28-H42-N2-O4.2Br.1/2H2-O

Molecular Formula Fragments

  • Br
  • C28-H42-N2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H42N2O4.2BrH/c1-27(2,19-31)29(5,6)25(33)17-21-9-13-23(14-10-21)24-15-11-22(12-16-24)18-26(34)30(7,8)28(3,4)20-32;;/h9-16,31-32H,17-20H2,1-8H3;2*1H/q+2;;/p-2

InChIKey

IYXDIKWOSVOXRQ-UHFFFAOYSA-L

Smiles

c1(c2ccc(CC([N+](C(CO)(C)C)(C)C)=O)cc2)ccc(CC([N+](C(CO)(C)C)(C)C)=O)cc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10100ug/kg (10.1mg/kg)   Biochemical Pharmacology. Vol. 19, Pg. 559, 1970.