Denatonium Saccharide
[CAS# 103735-41-7]

Identification

• Name: Denatonium Saccharide
• Synonyms: Benzyl-[2-[(2,6-Dimethylphenyl)Amino]-2-Oxo-Ethyl]-Diethyl-Ammonium; 1,1-Dioxo-1,2-Benzothiazol-3-Olate; Benzyl-[2-[(2,6-Dimethylphenyl)Amino]-2-Oxoethyl]-Diethylammonium; 1,1-Dioxo-1,2-Benzothiazol-3-Olate; Benzyl-[2-[(2,6-Dimethylphenyl)Amino]-2-Keto-Ethyl]-Diethyl-Ammonium; 1,1-Diketo-1,2-Benzothiazol-3-Olate
• Molecular Formula: C₂₈H₃₃N₃O₄S
• Molecular Weight: 507.65
• CAS Registry Number: 103735-41-7
• SMILES: C2=C(C[N+](CC(NC1=C(C=CC=C1C)C)=O)(CC)CC)C=CC=C2.C3=C4C(=CC=C3)[S](=NC4=O)([O-])=O
• 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,8,9,10,11)
• InChIKey: DMRHOZBCVOAFHR-UHFFFAOYSA-N