Denatonium saccharide

CAS Registry Number®

90823-38-4
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CAS Name

Denatonium saccharide

Molecular Formula

C21H29N2O.C7H4NO3S

Cite this Page

Denatonium saccharide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=90823-38-4 (retrieved 2022-05-26) (CAS RN: 90823-38-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28N2O.C7H5NO3S/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h7-14H,5-6,15-16H2,1-4H3;1-4H,(H,8,9)

InChIKey

InChIKey=AOVWCKBXCSVODH-UHFFFAOYSA-N

SMILES

O=S1(=O)C=2C(C(=O)[N-]1)=CC=CC2.[N+](CC1=CC=CC=C1)(CC(NC2=C(C)C=CC=C2C)=O)(CC)CC

Canonical SMILES

O=C1[N-]S(=O)(=O)C=2C=CC=CC12.O=C(NC=1C(=CC=CC1C)C)C[N+](CC=2C=CC=CC2)(CC)CC

Other Names for this Substance

  • Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-), N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium
  • Denatonium saccharide
  • Ro-Pel
  • Super Vilex

Deleted or Replaced CAS Registry Numbers

103735-41-7