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loading...| Preferred Name |
Doxorubicin hydrochloride |
|
| Synonyms |
Doxorubicin hydrochloride |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31522 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:25316-40-9 KEGG:D01275 |
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| formula |
C27H30ClNO11 C27H29NO11.HCl |
|
| has_exact_synonym |
Doxorubicin hydrochloride |
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| has_obo_namespace |
chebi_ontology |
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| id |
CHEBI:31522 |
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| in_subset | ||
| inchi |
InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1 |
|
| inchikey |
MWWSFMDVAYGXBV-RUELKSSGSA-N |
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| label |
Doxorubicin hydrochloride |
|
| mass |
579.981 |
|
| monoisotopicmass |
579.15074 |
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| notation |
CHEBI:31522 |
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| prefLabel |
Doxorubicin hydrochloride |
|
| smiles |
C1=CC(=C2C(=C1)C(C=3C(C2=O)=C(C4=C(C3O)C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(C(CO)=O)O)O)=O)OC.Cl |
|
| treeView | ||
| subClassOf |
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