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80790-68-7

80790-68-7 structural image
Product Name: NSC 354646
Formula: C31H35NO12
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COMPUTED DESCRIPTORS

Molecular Weight 613.6 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 6
Exact Mass 613.21592555 g/mol
Monoisotopic Mass 613.21592555 g/mol
Topological Polar Surface Area 193 Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 1100
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

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)

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