
API0232505
Daunorubicin
Daunorubicin is an anticancer drug.
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CAS No.
20830-81-3
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Synonyms
daunorubicin; Daunomycin; 20830-81-3
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CHEMBL ID
CHEMBL178
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Indications
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Molecule Type
Small molecule
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Compound CID
30323
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Molecular Weight (g/mol)
527.5
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Molecular Formula
C27H29NO10
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InChI
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/t10-,14-,16-,17-,22+,27-/m0/s1
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InChIKey
STQGQHZAVUOBTE-VGBVRHCVSA-N
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SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O
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IUPAC Name
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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Exact Mass (Da)
527.17914612
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Monoisotopic Mass (Da)
527.17914612
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