Berubicin HCl
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Molecular Identity
Berubicin HCl
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
PubChem CID: 9874591
2D Structure
Properties
C34H36ClNO11
Molecular Formula
670.10
Molecular Weight
g/mol
669.1977
Exact Mass
Da
195
TPSA
May have limited oral absorption
6
H-Bond Donors
12
H-Bond Acceptors
1130
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Berubicin HClBerubicin hydrochloride293736-67-1RTA 744WP744Berubicin hydrochloride [USAN]UNII-7BA3X03948RTA-7447BA3X03948Berubicin hydrochloride (USAN)BERUBICIN HYDROCHLORIDE [WHO-DD](8S,10S)-10-(((2R,4S,5S,6S)-4-AMINO-5-(BENZYLOXY)-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL)OXY)-8-GLYCOLOYL-6,8,11-TRIHYDROXY-1-METHOXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE HYDROCHLORIDE5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-4-O-(PHENYLMETHYL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, (8S,10S)-, HYDROCHLORIDERefChem:119103topoisomerase II inhibitor RTA 744
Data from PubChem (NCBI)
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