doxorubicin

Chemical Formula:

C₂₇H₃₀NO₁₁

Molecular Weight:

544.534 Daltons

Monoisotopic Mass:

544.1818858113 Daltons

SMILES:

CC1(C(O)C([N+])CC(O1)OC2(CC(O)(C(=O)CO)CC4(C2=C(O)C3(C(=O)C5(C(OC)=CC=CC(C(=O)C=3C=4O)=5)))))

InChI:

1S/C27H29NO11/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/p+1/t10-,13-,15-,17-,22+,27-/m0/s1

InChIKey:

AOJJSUZBOXZQNB-TZSSRYMLSA-O

Synonyms

14-hydroxydaunomycin
14-hydroxydaunorubicine
adriamycin

Databases

MetaCyc: CPD-13973

PubChem (CID): 40469134

HMDB: HMDB15132

ChEBI: 64816

LIPID MAPS: LMPK13050001

DRUGBANK: DB00997

Reactome: 8937424

Seed: cpd01151

MetaNetX: MNXM37015

KEGG: C01661