Dibromopropamidine isethionate

CAS Registry Number®

614-87-9

CAS Name

Dibromopropamidine isethionate

Molecular Formula

C17H18Br2N4O2.2C2H6O4S

Cite this Page

Dibromopropamidine isethionate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=614-87-9 (retrieved 2024-11-22) (CAS RN: 614-87-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C17H18Br2N4O2.C2H6O4S/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19;3-1-2-7(4,5)6/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23);3H,1-2H2,(H,4,5,6)

InChIKey

InChIKey=BZACJASHKPPTKX-UHFFFAOYSA-N

SMILES

O(CCCOC1=C(Br)C=C(C(=N)N)C=C1)C2=C(Br)C=C(C(=N)N)C=C2.C(S(=O)(=O)O)CO

Canonical SMILES

O=S(=O)(O)CCO.BrC1=CC(=CC=C1OCCCOC2=CC=C(C=C2Br)C(=N)N)C(=N)N

Other Names for this Substance

  • Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4′-[1,3-propanediylbis(oxy)]bis[3-bromobenzenecarboximidamide] (2:1)
  • Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4′-(trimethylenedioxy)bis[3-bromobenzamidine] (2:1)
  • Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4′-(trimethylenedioxy)bis[3-bromobenzamidine]
  • Benzamidine, 4,4′-(trimethylenedioxy)bis[3-bromo-, bis(2-hydroxyethanesulfonate)
  • Benzenecarboximidamide, 4,4′-[1,3-propanediylbis(oxy)]bis[3-bromo-, bis(2-hydroxyethanesulfonate)

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration