Products 64228-79-1
CAS 64228-79-1 is the registry number for Atracurium. Offered by: MedChemExpress. Available pack sizes: Get quote.
Atracurium is a diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. It has a role as a nicotinic antagonist and a muscle relaxant. It is a quaternary ammonium ion and a diester.
Source: ChEBI
| Molecular formula | C53H72N2O12+2 |
|---|---|
| Molecular weight | 929.1 g/mol |
| IUPAC name | 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate |
| InChIKey | YXSLJKQTIDHPOT-UHFFFAOYSA-N |
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C |
Computed by PubChem (NCBI)