NSC306359
4-bromo-13-ethyl-15-(2-hydroxy-3-piperidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid
Also Known As: 4-Bromo-13-ethyl-15-(2-hydroxy-3-piperidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid
| Molecular Formula | C32H47BrN3O9+ |
|---|---|
| Molecular Weight | 696.2496 g/mol |
| LogP | 0.556 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 696.2496 |
| Monoisotopic Mass | 696.2496 |
| Heavy Atoms | 45 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 79732-03-9 |
|---|---|
| SMILES | CCC1C2CC3C4C5(CC(C2C5O)[N+]3(C1O)CC(CN6CCCCC6)O)C7=C(N4C)C=CC(=C7)Br.C(C(C(=O)O)O)(C(=O)O)O |
| InChIKey | VGPJMZXDDQKDPF-UHFFFAOYSA-N |
Product Overview
NSC306359 (CAS 79732-03-9), with molecular formula C32H47BrN3O9+ and molecular weight 696.2496 g/mol. IUPAC: 4-bromo-13-ethyl-15-(2-hydroxy-3-piperidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid.
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