Bevonium methyl sulfate

CAS Registry Number®

5205-82-3

CAS Name

Bevonium methyl sulfate

Molecular Formula

C22H28NO3.CH3O4S

Cite this Page

Bevonium methyl sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5205-82-3 (retrieved 2024-11-21) (CAS RN: 5205-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=AXKJGGRSAVLXTE-UHFFFAOYSA-M

SMILES

C(C(OCC1[N+](C)(C)CCCC1)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3.S(OC)(=O)(=O)[O-]

Canonical SMILES

O=C(OCC1CCCC[N+]1(C)C)C(O)(C=2C=CC=CC2)C=3C=CC=CC3.O=S(=O)([O-])OC

Other Names for this Substance

  • Piperidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1)
  • Piperidinium, 2-(hydroxymethyl)-1,1-dimethyl-, methyl sulfate, benzilate
  • Piperidinium, 2-[[(hydroxydiphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (salt)
  • Benzilic acid, ester with 2-(hydroxymethyl)-1,1-dimethylpiperidinium methyl sulfate
  • N,N-Dimethyl-2-(hydroxymethyl)piperidinium benzilate methyl sulfate

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Deleted or Replaced CAS Registry Numbers

23277-37-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration