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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | vinorelbine | |
| Synonyms |
vinorelbinum Nor-5'-anhydrovinblastine vinorelbine vinorelbina methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate |
|
| Definitions |
A vinca alkaloid with a norvinblastine skeleton. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_480999 |
|
| alternative term |
vinorelbinum Nor-5'-anhydrovinblastine vinorelbine vinorelbina methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
|
|
| bearer_of | ||
| charge |
0
|
|
| database_cross_reference |
KEGG:D08680 CAS:71486-22-1 Beilstein:9035861 Patent:JP8031096 Drug_Central:2827 Patent:US4307100 DrugBank:DB00361
|
|
| formula |
C45H54N4O8
|
|
| has role | ||
| has_exact_synonym |
methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
vinorelbinum Nor-5'-anhydrovinblastine vinorelbine vinorelbina
|
|
| has_RxCUI |
39541
|
|
| id |
CHEBI:480999
|
|
| in_subset | ||
| inchi |
InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1
|
|
| inchikey |
GBABOYUKABKIAF-IELIFDKJSA-N
|
|
| label |
vinorelbine
|
|
| mass |
778.93230
|
|
| monoisotopicmass |
778.39416
|
|
| notation |
CHEBI:480999
|
|
| prefixIRI |
CHEBI:480999
|
|
| prefLabel |
vinorelbine
|
|
| smiles |
CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
|
|
| textual definition |
A vinca alkaloid with a norvinblastine skeleton.
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_38164 http://purl.obolibrary.org/obo/CHEBI_27288 http://purl.obolibrary.org/obo/CHEBI_25248 |
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