vecuronium bromide

Properties Image MNX_ID MNXM162086 reference chebi:9940 formula C34H57BrN2O4 global charge 0 mol weight 637.744 InChIKey VEPSYABRBFXYIB-PWXDFCLTSA-M InChI InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1 SMILES CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-] MNX internals InChI (mnx) InChI=1/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1 SMILES (mnx) [BrH:41].[CH3:1][C:23](=[O:37])[O:39][C@H:31]1[CH2:20][C@@H:25]2[CH2:12][CH2:13][C@@H:26]3[C@H:27]([CH2:14][CH2:15][C@@:33]4([CH3:3])[C@H:28]3[CH2:21][C@H:30]([N+:36]3([CH3:5])[CH2:18][CH2:10][CH2:7][CH2:11][CH2:19]3)[C@@H:32]4[O:40][C:24]([CH3:2])=[O:38])[C@@:34]2([CH3:4])[CH2:22][C@@H:29]1[N:35]1[CH2:16][CH2:8][CH2:6][CH2:9][CH2:17]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0