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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | valrubicin | |
| Synonyms |
N-Trifluoroacetyladriamycin 14-valerate N-Trifluoroacetyldoxorubicin 14-valerate AD-32 valstar |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135876 |
|
| alternative label |
N-Trifluoroacetyladriamycin 14-valerate N-Trifluoroacetyldoxorubicin 14-valerate AD-32 valstar
|
|
| charge |
0
|
|
| database_cross_reference |
CAS:56124-62-0 Drug_Central:2805
|
|
| formula |
C34H36F3NO13
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
N-Trifluoroacetyladriamycin 14-valerate N-Trifluoroacetyldoxorubicin 14-valerate AD-32 valstar
|
|
| has_RxCUI |
31435
|
|
| id |
CHEBI:135876
|
|
| in_subset | ||
| inchi |
InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1
|
|
| inchikey |
ZOCKGBMQLCSHFP-KQRAQHLDSA-N
|
|
| label |
valrubicin
|
|
| mass |
723.651
|
|
| monoisotopicmass |
723.21387
|
|
| notation |
CHEBI:135876
|
|
| prefLabel |
valrubicin
|
|
| smiles |
O([C@H]1C[C@H](NC(C(F)(F)F)=O)[C@@H]([C@@H](O1)C)O)[C@@H]2C3=C(C(O)=C4C(=C3O)C(=O)C=5C(C4=O)=CC=CC5OC)C[C@](C2)(C(COC(CCCC)=O)=O)O
|
|
| subClassOf |
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