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CHEBI:748751 - vinblastine sulfate
| Formula | H2O4S.C46H58N4O9 |
| Net Charge | 0 |
| Average Mass | 909.068 |
| Monoisotopic Mass | 908.38776 |
| SMILES | O=S(=O)(O)O.[H][C@@]12CN(CCc3c(nc4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@]3([H])[C@]45CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]3(O)C(=O)OC)[C@]45[H])C1)C[C@](O)(CC)C2 |
| InChI | InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1 |
| InChIKey | KDQAABAKXDWYSZ-PNYVAJAMSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vinblastine sulfate (CHEBI:748751) has role antineoplastic agent (CHEBI:35610) |
| vinblastine sulfate (CHEBI:748751) is a vinca alkaloid (CHEBI:27288) |
| Synonyms | Source |
|---|---|
| 29060-LE | ChEMBL |
| 29060LE | ChEMBL |
| Alkaban-aq | ChEMBL |
| NSC-49842 | ChEMBL |
| Vinblastine sulphate | ChEMBL |
| Vinblastini sulfas | ChEMBL |
| Brand Names | Source |
|---|---|
| Velban | ChEMBL |
| Velbe | ChEMBL |
| Vinblast,lederle | ChEMBL |
| Citations |
|---|