Amrubicin Hydrochloride
(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;hydrochloride
Molecular Identity
Amrubicin Hydrochloride
(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;hydrochloride
PubChem CID: 114897
2D Structure
Properties
C25H26ClNO9
Molecular Formula
519.90
Molecular Weight
g/mol
519.1296
Exact Mass
Da
177
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
881
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)OC5CC(C(CO5)O)O)N.ClIsomeric SMILES
SMILES: CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O[C@H]5C[C@@H]([C@@H](CO5)O)O)N.ClSynonyms(20)
Amrubicin hydrochloride110311-30-3CalsedSM-5887SM 5887EUL6MP8FZWRefChem:915773SMP-5887(+)-(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 hydrochlorideAmrubicin HClAmrubicin (hydrochloride)92470-31-0Amrubicin hydrochloride [USAN](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;hydrochloride(7S,9S)-9-acetyl-9-amino-7-(((2S,4S,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride
Data from PubChem (NCBI)
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