Methyltubocurarinum
(1S,16R)-9,10,20,24-tetramethoxy-15,15,29-trimethyl-7,22-dioxa-29-aza-15-azoniaheptacyclo[21.6.2.23,6.218,21.18,12.026,30.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18,20,23,25,30,32-dodecaene
Also Known As: Methyltubocurarinum|KST-1A5392|(1s,16r)-9,10,20,24-tetramethoxy-15,15,29-trimethyl-7,22-dioxa-29-aza-15-azoniaheptacyclo[21.6.2.23,6.218,21.18,12.016,34.026,30]hexatriaconta-3,5,8(34),9,11,18,20,23,25,30,32,35-dodecaene(non-preferred name)
| Molecular Formula | C39H45N2O6+ |
|---|---|
| Molecular Weight | 637.32776 g/mol |
| LogP | 7.31 |
| Topological Polar Surface Area | 58.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 637.32776 |
| Heavy Atoms | 47 |
| Complexity | 1800.9 |
Chemical Identifiers
| CAS Number | 52995-72-9 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(O3)C=C7)OC)[N+](CCC6=CC(=C5OC)OC)(C)C)OC |
Product Overview
Methyltubocurarinum (CAS 52995-72-9), with molecular formula C39H45N2O6+ and molecular weight 637.32776 g/mol. IUPAC: (1S,16R)-9,10,20,24-tetramethoxy-15,15,29-trimethyl-7,22-dioxa-29-aza-15-azoniaheptacyclo[21.6.2.23,6.218,21.18,12.026,30.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18,20,23,25,30,32-dodecaene.
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