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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | Idarubicin hydrochloride | |
| Synonyms |
Idarubicin hydrochloride |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31686 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D01747 CAS:57852-57-0
|
|
| formula |
C26H28ClNO9 C26H27NO9.HCl
|
|
| has_exact_synonym |
Idarubicin hydrochloride
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:31686
|
|
| in_subset | ||
| inchi |
InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1
|
|
| inchikey |
JVHPTYWUBOQMBP-RVFAQHLVSA-N
|
|
| label |
Idarubicin hydrochloride
|
|
| mass |
533.956
|
|
| monoisotopicmass |
533.14526
|
|
| notation |
CHEBI:31686
|
|
| prefLabel |
Idarubicin hydrochloride
|
|
| smiles |
Cl.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(C)=O)O)O)=O
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| treeView | ||
| subClassOf |
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