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Substance Name: Quinacrine ethyl mustard
RN: 10072-25-0
InChIKey: LIBUVSXLVIDYDV-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formulas

  • C20-H22-Cl3-N3-O.2Cl-H
  • C20-H22-Cl3-N3-O.2Cl-H.H2-O

Molecular Weight

  • 499.695
 
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Names and Synonyms

Results Name

  • Quinacrine ethyl mustard

Synonyms

  • 9-(2-(Di(2-chloroethyl)amino)ethylamino)-6-chloro-2-methoxyacridine
  • ICR-48b
  • NSC 34372
  • NSC-34372
  • Quinacrine ethyl mustard

Systematic Names

  • Acridine, 9-((2-(bis(2-chloroethyl)amino)ethyl)amino)-6-chloro-2-methoxy-, dihydrochloride (8CI)
  • Acridine, 9-(2-(bis(2-chloroethyl)amino)ethylamino)-6-chloro-2-methoxy-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 10072-25-0

System Generated Number

  • 0010072250

Molecular Formulas

Molecular Formulas

  • C20-H22-Cl3-N3-O.2Cl-H
  • C20-H22-Cl3-N3-O.2Cl-H.H2-O

Molecular Formula Fragments

  • C20-H22-Cl3-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H22Cl3N3O.2ClH/c1-27-15-3-5-18-17(13-15)20(16-4-2-14(23)12-19(16)25-18)24-8-11-26(9-6-21)10-7-22;;/h2-5,12-13H,6-11H2,1H3,(H,24,25);2*1H

InChIKey

LIBUVSXLVIDYDV-UHFFFAOYSA-N

Smiles

c1(c2c(nc3c1ccc(c3)Cl)ccc(c2)OC)[NH+]CC[NH+](CCCl)CCCl.[ClH-].[ClH-]