Ibutilide fumarate

CAS Registry Number®

122647-32-9

CAS Name

Ibutilide fumarate

Molecular Formula

C20H36N2O3S.1/2C4H4O4

Cite this Page

Ibutilide fumarate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122647-32-9 (retrieved 2024-11-22) (CAS RN: 122647-32-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117-119 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C20H36N2O3S.C4H4O4/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

InChIKey=PAXBPNBQGZYWHP-WLHGVMLRSA-N

SMILES

C(CCCN(CCCCCCC)CC)(O)C1=CC=C(NS(C)(=O)=O)C=C1.C(=C/C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.O=S(=O)(NC1=CC=C(C=C1)C(O)CCCN(CC)CCCCCCC)C

Other Names for this Substance

  • Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (2E)-2-butenedioate (2:1)
  • Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (±)-, (E)-2-butenedioate (2:1) (salt)
  • Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (2E)-2-butenedioate (2:1) (salt)
  • U 70226E
  • Ibutilide fumarate

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Deleted or Replaced CAS Registry Numbers

130350-52-6

CAS INSIGHTSTM
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