Pinaverium bromide

CAS Registry Number®

53251-94-8
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CAS Name

Pinaverium bromide

Molecular Formula

C26H41BrNO4.Br

Cite this Page

Pinaverium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53251-94-8 (retrieved 2021-11-28) (CAS RN: 53251-94-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1

InChIKey

InChIKey=IKGXLCMLVINENI-UHFFFAOYSA-M

SMILES

C([N+]1(CCOCCC2C3C(C)(C)C(C3)CC2)CCOCC1)C4=CC(OC)=C(OC)C=C4Br.[Br-]

Canonical SMILES

[Br-].BrC=1C=C(OC)C(OC)=CC1C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2

Other Names for this Substance

  • Morpholinium, 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]-, bromide (1:1)
  • Morpholinium, 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]-, bromide
  • Pinaverium bromide
  • Dicetel
  • LAT 1717