daunorubicin

Chemical Formula:

C₂₇H₃₀NO₁₀

Molecular Weight:

528.535 Daltons

Monoisotopic Mass:

528.1869711892 Daltons

SMILES:

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

InChI:

1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16-,17-,22+,27-/m0/s1

InChIKey:

STQGQHZAVUOBTE-VGBVRHCVSA-O

Synonyms

daunomycin
rubidomycin

Databases

MetaCyc: CPD-13962

RefMet: Daunorubicin

PubChem (CID): 7067174 30323

HMDB: HMDB14832

ChEBI: 64677

LIPID MAPS: LMPK13050002

DRUGBANK: DB00694

Seed: cpd01310

MetaNetX: MNXM3576

KEGG: C01907