Atracurium

cas: 64228-79-1 — see every product listed under this CAS number, including other names

Atracurium (CAS 64228-79-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-B0292-Get quote
cas64228-79-1
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Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC53H72N2O12+2
Molecular weight929.1 g/mol
IUPAC name5-[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
InChIKeyYXSLJKQTIDHPOT-UHFFFAOYSA-N
SMILESC[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)

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