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CHEBI:36373 - vindesine
| Formula | C43H55N5O7 |
| Net Charge | 0 |
| Average Mass | 753.941 |
| Monoisotopic Mass | 753.41015 |
| SMILES | [H][C@@]12N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C[N@](CCc6c4nc4ccccc64)C[C@](O)(CC)C5)cc3[C@@]13CCN1CC=C[C@@](CC)([C@@H](O)[C@]2(O)C(N)=O)[C@]13[H] |
| InChI | InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1 |
| InChIKey | HHJUWIANJFBDHT-KOTLKJBCSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| 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) |
| vindesine (CHEBI:36373) has functional parent vincaleukoblastine (CHEBI:27375) |
| vindesine (CHEBI:36373) has role antineoplastic agent (CHEBI:35610) |
| vindesine (CHEBI:36373) is a methyl ester (CHEBI:25248) |
| vindesine (CHEBI:36373) is a organic heteropentacyclic compound (CHEBI:38164) |
| vindesine (CHEBI:36373) is a organic heterotetracyclic compound (CHEBI:38163) |
| vindesine (CHEBI:36373) is a primary carboxamide (CHEBI:140324) |
| vindesine (CHEBI:36373) is a tertiary alcohol (CHEBI:26878) |
| vindesine (CHEBI:36373) is a tertiary amino compound (CHEBI:50996) |
| vindesine (CHEBI:36373) is a vinca alkaloid (CHEBI:27288) |
| Incoming Relation(s) |
| vindesine sulfate (CHEBI:32295) has functional parent vindesine (CHEBI:36373) |
| IUPAC Names |
|---|
| methyl (5S,7S,9S)-9-[(2β,3β,4β,5α,12β,19α)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate |
| 3-carbamoyl-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine |
| Synonyms | Source |
|---|---|
| 3-(aminocarbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine | ChemIDplus |
| 3-carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine | ChemIDplus |
| desacetylvinblastine amide | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| DB00309 | DrugBank |
| Registry Numbers | Sources |
|---|---|
| Beilstein:7162300 | Beilstein |
| CAS:53643-48-4 | ChemIDplus |