Penthienate bromide

CAS Registry Number®

60-44-6

CAS Name

Penthienate bromide

Molecular Formula

C18H30NO3S.Br

Cite this Page

Penthienate bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60-44-6 (retrieved 2024-10-05) (CAS RN: 60-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    124.6 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C18H30NO3S.BrH/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16;/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3;1H/q+1;/p-1

InChIKey

InChIKey=VWGJUXTWIWCQGL-UHFFFAOYSA-M

SMILES

C(C(OCC[N+](CC)(CC)C)=O)(O)(C1CCCC1)C2=CC=CS2.[Br-]

Canonical SMILES

[Br-].O=C(OCC[N+](C)(CC)CC)C(O)(C=1SC=CC1)C2CCCC2

Other Names for this Substance

  • Ethanaminium, 2-[[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy]-N,N-diethyl-N-methyl-, bromide (1:1)
  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, α-cyclopentyl-2-thiopheneglycolate
  • Ethanaminium, 2-[(cyclopentylhydroxy-2-thienylacetyl)oxy]-N,N-diethyl-N-methyl-, bromide
  • Diethyl(2-hydroxyethyl)methylammonium bromide, α-cyclopentyl-2-thiopheneglycolate
  • 2-Thiopheneglycolic acid, α-cyclopentyl-, ester with diethyl(2-hydroxyethyl)methylammonium bromide

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Deleted or Replaced CAS Registry Numbers

54515-20-7

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