Valethamate bromide

CAS Registry Number®

90-22-2

CAS Name

Valethamate bromide

Molecular Formula

C19H32NO2.Br

Cite this Page

Valethamate bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90-22-2 (retrieved 2024-11-22) (CAS RN: 90-22-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    101.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1

InChIKey

InChIKey=CEJGGHKJHDHLAZ-UHFFFAOYSA-M

SMILES

C(C(OCC[N+](CC)(CC)C)=O)(C(CC)C)C1=CC=CC=C1.[Br-]

Canonical SMILES

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

Other Names for this Substance

  • Ethanaminium, N,N-diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, bromide (1:1)
  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-methyl-2-phenylvalerate
  • Diethyl(2-hydroxyethyl)methylammonium bromide 3-methyl-2-phenylvalerate
  • Ethanaminium, N,N-diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, bromide
  • Valeric acid, 3-methyl-2-phenyl-, ester with diethyl(2-hydroxyethyl)methylammonium bromide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration