Amrubicin
(7S,9S)-9-acetyl-9-amino-7-[(2S,4S,5R)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular Identity
Amrubicin
(7S,9S)-9-acetyl-9-amino-7-[(2S,4S,5R)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
PubChem CID: 3035016
Amrubicin is a synthetic anthracycline antibiotic with molecular formula C25H25NO9. A specific inhibitor of topoisomerase II, it is used (particularly as the hydrochloride salt) in the treatment of cancer, especially lung cancer, where it is a prodrug for the active metabolite, ambrucinol. It has a role as a topoisomerase II inhibitor, an antineoplastic agent and a prodrug. It is a quinone, an anthracycline antibiotic, a primary amino compound, a member of tetracenes and a methyl ketone.
2D Structure
Properties
C25H25NO9
Molecular Formula
483.50
Molecular Weight
g/mol
483.1529
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
177
TPSA
May have limited oral absorption
5
H-Bond Donors
10
H-Bond Acceptors
881
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Amrubicin110267-81-7amrubicinaamrubicineamrubicinum93N13LB4Z2CHEBI:135779DTXSID30869526RefChem:557927DTXCID00817498L01DB10(+)-(7S,9S)-9-Acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione(7S,9S)-9-acetyl-9-amino-7-(((2S,4S,5R)-4,5-dihydroxyoxan-2-yl)oxy)-6,11-dihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneAmrubicin(SM-5887)Amrubicin [INN]
Data from PubChem (NCBI)
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Drug Network
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