Morpholinodoxorubicin
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Morpholinodoxorubicin
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CAS No:
80790-68-7
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Formula:
C31H35NO12
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Chemical Name:
Morpholinodoxorubicin
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Synonyms:
5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosyl]oxy]-,(8S,10S)-;5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosyl]oxy]-,(8S-cis)-;5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosyl]oxy]-,(8S,10S)-;(8S,10S)-7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione;MRA;3′-Deamino-3′-(4-morpholinyl)doxorubicin;3′-Deamino-3′-(4-morpholinyl)adriamycin;ADR 456;Morpholinodoxorubicin;142200-33-7;1086941-78-7
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CAS No:
Description
Morpholinodoxorubicin is a semisynthetic derivative of the anthracycline antineoplastic antibiotic doxorubicin. As an antineoplastic agent, morpholinodoxorubicin is more potent than doxorubicin. Similar to doxorubicin, morpholinodoxorubicin intercalates into DNA and causes single- and double-strand breaks in DNA via inhibition of topoisomerase I and II. Unlike doxorubicin, this agent is metabolized in vivo to a DNA-alkylating derivative that forms DNA interstrand cross-links, thereby potentiating its doxorubicin-like cytotoxicity. (NCI04)
Computed Properties
Molecular Weight:613.6
XLogP3:1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:613.21592555
Monoisotopic Mass:613.21592555
Topological Polar Surface Area:193
Heavy Atom Count:44
Complexity:1100
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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