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Basic information
- Standard SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC.Cl- InChIKey
KUSMIBXCRZTVML-PCCPLWKKSA-N- Molecular formula
- C42H54ClNO15
- Average molar mass
- 848.339 g/mol
- Monoisotopic mass
- 847.31819771
Names & identifiers
- Preferred name
- Aclarubicin hydrochloride
- IUPAC
- Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
75443-99-1- PubChem CID
- 153751
- DTXSID
DTXSID4046658- ChEMBL
CHEMBL1697719- ChEBI
CHEBI:31171- UNII
- 501948RI66
- EC Number
- 278-209-3
Related reactions
0 records
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Linked notes
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