2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate

CAS: 87046-72-8

Ref. TR-H805335

Product Information

• Name: 2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
• Synonyms: 1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-2-[3-[(5-hydroxypentyl)oxy]-3-oxopropyl]-6,7-dimethoxy-2-methylisoquinolinium Benzenesulfonate, Atracurium Impurity D
• Brand: TRC

Description

Applications 2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium, is an impurity of Atracurium Besylate (A794500), a neuromuscular blocking agent.
References Hughes, R., et al.: Br. J. Anaesth., 53, 31 (1981), Basta, S.J., et al.: Anesth. Analog., 61, 723 (1982), Neill, E.A., et al.: Xenobiotica, 12, 203 (1982),

Chemical properties

• Molecular weight: 516.6
• Formula: C₂₉H₄₂NO₇
• Color/Form: Neat
• InChI: InChI=1S/C29H42NO7/c1-30(14-12-29(32)37-16-8-6-7-15-31)13-11-22-19-27(35-4)28(36-5)20-23(22)24(30)17-21-9-10-25(33-2)26(18-21)34-3/h9-10,18-20,24,31H,6-8,11-17H2,1-5H3/q+1
• SMILES: COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCO)cc1OC