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Substance Name: Quinacrine half mustard
RN: 68725-63-3
InChIKey: SBSVQAUSANZYMY-UHFFFAOYSA-N

Molecular Formula

  • C23-H29-Cl2-N3-O.2Cl-H

Molecular Weight

  • 507.33
 
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Names and Synonyms

Name of Substance

  • Quinacrine half mustard

Systematic Name

  • 1,4-Pentanediamine, N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 68725-63-3

System Generated Number

  • 0068725633

Molecular Formulas

Molecular Formula

  • C23-H29-Cl2-N3-O.2Cl-H

Molecular Formula Fragments

  • C23-H29-Cl2-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29Cl2N3O.2ClH/c1-4-28(13-11-24)12-5-6-16(2)26-23-19-9-7-17(25)14-22(19)27-21-10-8-18(29-3)15-20(21)23;;/h7-10,14-16H,4-6,11-13H2,1-3H3,(H,26,27);2*1H

InChIKey

SBSVQAUSANZYMY-UHFFFAOYSA-N

Smiles

C([N@@](CC)CCCl)CC[C@@H](C)Nc1c2ccc(cc2nc2ccc(cc12)OC)Cl.Cl.Cl