Dequalinium acetate

CAS Registry Number®

4028-98-2

CAS Name

Dequalinium acetate

Molecular Formula

C30H40N4.2C2H3O2

Cite this Page

Dequalinium acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4028-98-2 (retrieved 2024-11-22) (CAS RN: 4028-98-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H38N4.C2H4O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;1-2(3)4/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;1H3,(H,3,4)/p+1

InChIKey

InChIKey=BDMCHWQXAWWRGZ-UHFFFAOYSA-O

SMILES

C(CCCCCCCCC[N+]=1C2=C(C(N)=CC1C)C=CC=C2)[N+]=3C4=C(C(N)=CC3C)C=CC=C4.C(C)([O-])=O

Canonical SMILES

O=C([O-])C.NC1=CC(=[N+](C=2C=CC=CC12)CCCCCCCCCC[N+]=3C=4C=CC=CC4C(N)=CC3C)C

Other Names for this Substance

  • Quinolinium, 1,1′-(1,10-decanediyl)bis[4-amino-2-methyl-, acetate (1:2)
  • Quinaldinium, 1,1′-decamethylenebis[4-amino-, diacetate
  • 1,1′-Decamethylenebis[4-aminoquinaldinium acetate]
  • Quinolinium, 1,1′-(1,10-decanediyl)bis[4-amino-2-methyl-, diacetate
  • Dequadin acetate

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Deleted or Replaced CAS Registry Numbers

59053-09-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration