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Substance Name: Hemicholinium 3-bromo mustard
RN: 79868-97-6
InChIKey: FLJGVVTUAVOYIE-UHFFFAOYSA-N

Note

  • High affinity inhibitor of sodium dependent high affinity choline uptake.

Molecular Weight

  • 643.241
 
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Names and Synonyms

Name of Substance

  • Hemicholinium 3-bromo mustard

Synonym

  • HC3-Brm

Systematic Name

  • 2-Morpholinol, 2,2'-(1,1'-biphenyl)-4,4'-diylbis(4-(2-bromoethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 79868-97-6

System Generated Number

  • 0079868976

Structure Descriptors

InChI

1S/C24H30Br2N2O4.2ClH/c25-9-11-27-13-15-31-23(29,17-27)21-5-1-19(2-6-21)20-3-7-22(8-4-20)24(30)18-28(12-10-26)14-16-32-24;;/h1-8,29-30H,9-18H2;2*1H

InChIKey

FLJGVVTUAVOYIE-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)[C@@]1(C[N@@](CCO1)CCBr)O)c1ccc(cc1)[C@@]1(C[N@@](CCO1)CCBr)O.Cl.Cl