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CAS 95343-20-7

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5,12-Naphthacenedione, 10-[[3-amino-2,3,6-trideoxy-4-O-(tetrahydro-2H-pyran-2-yl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride (1:1), [8S-[8α,10α(S*)]]-

Description:
5,12-Naphthacenedione, 10-[[3-amino-2,3,6-trideoxy-4-O-(tetrahydro-2H-pyran-2-yl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride (1:1) is a complex organic compound characterized by its intricate molecular structure, which includes a naphthacenedione core and various functional groups such as amino, hydroxy, and methoxy groups. This compound is notable for its potential biological activity, particularly in medicinal chemistry, where it may exhibit antimicrobial or anticancer properties due to its unique arrangement of hydroxyl and amino functionalities. The presence of a sugar moiety enhances its solubility and may influence its pharmacokinetic properties. As a hydrochloride salt, it is typically more stable and soluble in aqueous environments, which is advantageous for biological applications. The compound's stereochemistry, indicated by the specific notation, suggests that it may have distinct spatial arrangements that could affect its interaction with biological targets. Overall, this substance represents a fascinating area of study in the field of organic and medicinal chemistry.
Formula:C32H37NO12·ClH
InChI:InChI=1S/C32H37NO12.ClH/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38;/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3;1H/t14-,17-,19-,21+,22-,31+,32-;/m0./s1
InChI key:InChIKey=ZPHYPKKFSHAVOE-YZIXBPQXSA-N
SMILES:O([C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=CC=CC4OC)C[C@](C(CO)=O)(O)C1)[C@H]5C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O5.Cl
Synonyms:
  • Pirarubicin hydrochloride
  • Theprubicin
  • 5,12-Naphthacenedione, 10-[[3-amino-2,3,6-trideoxy-4-O-(tetrahydro-2H-pyran-2-yl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, [8S-[8α,10α(S*)]]-
  • 5,12-Naphthacenedione, 10-[[3-amino-2,3,6-trideoxy-4-O-(tetrahydro-2H-pyran-2-yl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride (1:1), [8S-[8α,10α(S*)]]-
  • 5,12-Naphthacenedione, 10-[[3-amino-2,3,6-trideoxy-4-O-[(2R)-tetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-
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