Candocuronium iodide
[CAS# 54278-85-2]

Identification

• Name: Candocuronium iodide
• Synonyms: (4As,4Br,8S,10Ar,10Bs,12As)-1,1,10A,12A-Tetramethyl-8-(1-Methyl-1-Pyrrolidin-1-Iumyl)-3,4,4A,4B,5,7,8,9,10,10B,11,12-Dodecahydro-2H-Naphtho[6,5-F]Quinolin-1-Ium Diiodide; Hs-310; 17A,17A-Dimethyl-3Beta-(1-Methylpyrrolidinio)-17A-Azonia-D-Homoandrost-5-Ene Diiodide
• Molecular Formula: C₂₆H₄₆I₂N₂
• Molecular Weight: 640.47
• CAS Registry Number: 54278-85-2
• SMILES: [C@@H]23[C@H]([C@H]1[C@]([N+](CCC1)(C)C)(C)CC2)CC=C4[C@@]3(CC[C@@H](C4)[N+]5(CCCC5)C)C.[I-].[I-]
• InChI: 1S/C26H46N2.2HI/c1-25-14-12-21(28(5)17-6-7-18-28)19-20(25)10-11-22-23(25)13-15-26(2)24(22)9-8-16-27(26,3)4;;/h10,21-24H,6-9,11-19H2,1-5H3;2*1H/q+2;;/p-2/t21-,22+,23-,24-,25-,26-;;/m0../s1
• InChIKey: GGAGIPMNQXAXNH-XDMKMBKMSA-L