Denatonium saccharide

benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;1,1-dioxo-1,2-benzothiazol-3-olate

CAS: 90823-38-4

Molecular Formula	`C28H33N3O4S`
Molecular Weight	507.6 g/mol
Topological Polar Surface Area	107.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	507.21918
Heavy Atoms	36
Complexity	689.0

Chemical Identifiers

CAS Number	90823-38-4
SMILES	`CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]`
InChIKey	`AOVWCKBXCSVODH-UHFFFAOYSA-N`

📖 Product Overview

Denatonium saccharide (CAS: 90823-38-4) is a chemical compound with molecular formula C28H33N3O4S and molecular weight 507.6 g/mol. Its IUPAC systematic name is benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;1,1-dioxo-1,2-benzothiazol-3-olate. Topological Polar Surface Area 107.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 507.21918 Heavy Atoms 36 Complexity 689.0 InChI Key: AOVWCKBXCSVODH-UHFFFAOYSA-N. SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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