Denatonium saccharide

• CAS: 90823-38-4
• Catalog Number: ACM90823384
• Category: Other Products
• Molecular Weight: 507.64
• Molecular Formula: C28H33N3O4S
• Synonyms: 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)
• IUPAC Name: Benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;1-oxido-1-oxo-1,2-benzothiazol-3-one
• Canonical SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C2C(=C1)C(=O)N=S2(=O)[O-]
• InChI: DMRHOZBCVOAFHR-UHFFFAOYSA-N
• InChI Key: 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)
• Melting Point: 182 °C
• Active Content: 95%
• Physical State: Solid