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Substance Name: AT 584
RN: 16810-17-6
InChIKey: NPZCJJUTUDMOHU-UHFFFAOYSA-M

Molecular Formulas

  • C12-H14-Br-Cl2-N-O.C6-H12-N4
  • C18-H26-Cl2-N5-O.Br

Molecular Weight

  • 479.247
 
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Names and Synonyms

Name of Substance

  • AT 584

Synonyms

  • 1-(2-(4-(Bis(2-chloroethyl)amino)phenyl)-2-oxoethyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.1(sup 3,7))decane bromide
  • 1-(p-(Bis(2-chloroethyl)amino)phenacyl)-3,5,7-triaza-1-azoniaadamantane bromide
  • AT-584
  • Hexamethylenetetramine salt of p-(bis(2-chloroethyl)amino)-alpha-bromoacetophenone

Systematic Names

  • 3,5,7-Triaza-1-azoniaadamantane, 1-(p-(bis(2-chloroethyl)amino)phenacyl)-, bromide
  • 3,5,7-Triaza-1-azoniatricyclo(3.3.1.1(sup 3,7))decane, 1-(2-(4-(bis(2-chloroethyl)amino)phenyl)-2-oxoethyl)-, bromide
  • 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-(2-(4-(bis(2-chloroethyl)amino)phenyl)-2-oxoethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 16810-17-6

System Generated Number

  • 0016810176

Molecular Formulas

Molecular Formulas

  • C12-H14-Br-Cl2-N-O.C6-H12-N4
  • C18-H26-Cl2-N5-O.Br

Molecular Formula Fragments

  • C12-H14-Br-Cl2-N-O
  • C6-H12-N4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H26Cl2N5O.BrH/c19-5-7-24(8-6-20)17-3-1-16(2-4-17)18(26)9-25-13-21-10-22(14-25)12-23(11-21)15-25;/h1-4H,5-15H2;1H/q+1;/p-1

InChIKey

NPZCJJUTUDMOHU-UHFFFAOYSA-M

Smiles

C1N2C[N+]3(CN1CN(C3)C2)CC(c1ccc(cc1)N(CCCl)CCCl)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1150mg/kg (1150mg/kg)   Scientia Sinica. Vol. 13, Pg. 789, 1964.