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Basic Information
CAS No.: 73-51-8
Name: 4,4′-BIPHENYLENEBIS(2-OXOETHYLENE) BIS(DIMETHYL(2-HYDROXYETHYL)-AMMONIUM) DIBROMIDE
Molecular Structure:
Molecular Structure of 73-51-8 (4,4′-BIPHENYLENEBIS(2-OXOETHYLENE) BIS(DIMETHYL(2-HYDROXYETHYL)-AMMONIUM) DIBROMIDE )
Formula: C24H34N2O4•2Br
Molecular Weight: 574.42
Safety: Deadly poison by intraperitoneal and intravenous routes. See also BROMIDES. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−.
PSA: 74.60000
LogP: -1.13960
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Chemistry

Molecular Structure of 4,4′-Biphenylenebis(2-oxoethylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide (CAS NO. 73-51-8):

IUPAC Name: 2-hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
Empirical Formula: C24H34Br2N2O4
Molecular Weight: 574.3458
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 13
Polar Surface Area: 52.6 Å2
InChI
InChI=1/C24H34N2O4.2BrH/c1-25(2,13-15-27)23(29)17-19-5-9-21(10-6-19)22-11-7-20(8-12-22)18-24(30)26(3,4)14-16-28;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2
Smiles
c1(c2ccc(CC([N+](CCO)(C)C)=O)cc2)ccc(CC([N+](CCO)(C)C)=O)cc1.[BrH-].[BrH-]
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

1.    

ipr-rat LD50:45 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 115 (1955),127.
2.    

ipr-mus LD50:20 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 115 (1955),127.
3.    

ivn-dog LDLo:75 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 115 (1955),127.
4.    

ivn-rbt LDLo:50 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 115 (1955),127.
5.    

ipr-gpg LDLo:30 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 115 (1955),127.

Consensus Reports

 4,4′-Biphenylenebis(2-oxoethylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide (CAS NO. 73-51-8) was reported in JPETAB Journal of Pharmacology and Experimental Therapeutics.

Safety Profile

Deadly poison by intraperitoneal and intravenous routes. See also BROMIDES. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−.

Specification

 4,4′-Biphenylenebis(2-oxoethylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide , with CAS number of 73-51-8, can be called Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis(dimethyl(2-hydroxyethyl)-, dibromide .