Propantheline bromide

CAS Registry Number®

50-34-0
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CAS Name

Propantheline bromide

Molecular Formula

C23H30NO3.Br

Cite this Page

Propantheline bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50-34-0 (retrieved 2022-09-27) (CAS RN: 50-34-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    159.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1

InChIKey

InChIKey=XLBIBBZXLMYSFF-UHFFFAOYSA-M

SMILES

C(OCC[N+](C(C)C)(C(C)C)C)(=O)C1C=2C(OC=3C1=CC=CC3)=CC=CC2.[Br-]

Canonical SMILES

[Br-].O=C(OCC[N+](C)(C(C)C)C(C)C)C1C=2C=CC=CC2OC=3C=CC=CC31

Other Names for this Substance

  • 2-Propanaminium, N-methyl-N-(1-methylethyl)-N-[2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]-, bromide (1:1)
  • Ammonium, (2-hydroxyethyl)diisopropylmethyl-, bromide, xanthene-9-carboxylate
  • (2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate
  • 2-Propanaminium, N-methyl-N-(1-methylethyl)-N-[2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]-, bromide
  • Xanthene-9-carboxylic acid, ester with (2-hydroxyethyl)diisopropylmethylammonium bromide