(8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride



Compound number:
MolPort-003-983-428
CAS number: 25316-40-9
IUPAC:
(8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
IUPAC traditional:
doxorubicin
SMILES:
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
InChI key:
MWWSFMDVAYGXBV-FGBJBKNOSA-N
Molecular formula:
C27H30ClNO11
Molecular weight: 579.98
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-003-983-428
CAS number: 25316-40-9

Names, Synonyms and 3rd Party Identifiers

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
InChI key: MWWSFMDVAYGXBV-FGBJBKNOSA-N

Calculated Properties
Molecular formula: C27H30ClNO11
Molecular weight: 579.98

Other

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