Quinacrine mustard

CAS Registry Number®

4213-45-0
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CAS Name

Quinacrine mustard

Molecular Formula

C23H28Cl3N3O.2ClH

Cite this Page

Quinacrine mustard.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4213-45-0 (retrieved 2024-04-30) (CAS RN: 4213-45-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H28Cl3N3O.2ClH/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);2*1H

InChIKey

InChIKey=JETDZFFCRPFPDH-UHFFFAOYSA-N

SMILES

N(C(CCCN(CCCl)CCCl)C)C=1C2=C(N=C3C1C=CC(Cl)=C3)C=CC(OC)=C2.Cl

Canonical SMILES

Cl.ClC=1C=CC=2C(=NC=3C=CC(OC)=CC3C2NC(C)CCCN(CCCl)CCCl)C1

Other Names for this Substance

  • 1,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-, hydrochloride (1:2)
  • Acridine, 9-[[4-[bis(2-chloroethyl)amino]-1-methylbutyl]amino]-6-chloro-2-methoxy-, dihydrochloride
  • 1,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-, dihydrochloride
  • 2-Methoxy-6-chloro-9-[4-bis[2-chloroethyl]amino-1-methylbutyl amino)acridine dihydrochloride
  • Quinacrine mustard

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Deleted or Replaced CAS Registry Numbers

39362-56-6

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