Vinleurosine
methyl (13S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate
Also Known As: Vinleurosine, LEUROSINE SULFATE, Lilly 32645, VINLEUROSINE SULFATE, Vinleurosine sulfate [USAN], Vincaleukoblastine, 4'-deoxy-3',4'-epoxy-, (3'.alpha.,4'.alpha.)-, sulfate (2:1) (salt)
| Molecular Formula | C46H56N4O9 |
|---|---|
| Molecular Weight | 808.4047 g/mol |
| LogP | 4.01 |
| Topological Polar Surface Area | 146.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 808.4047 |
| Heavy Atoms | 59 |
| Complexity | 2309 |
Chemical Identifiers
| CAS Number | 54081-68-4 |
|---|---|
| SMILES | CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(CC7CN(CCC8=C6NC9=CC=CC=C89)CC1(C7O1)CC)C(=O)OC)OC)C |
Product Overview
Vinleurosine (CAS 54081-68-4), with molecular formula C46H56N4O9 and molecular weight 808.4047 g/mol. IUPAC: methyl (13S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate.
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