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91421-42-0

91421-42-0 structural image
Product Name: Rubitecan
Formula: C20H15N3O6
Synonyms: 9-nitrocamptothecin
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COMPUTED DESCRIPTORS

Molecular Weight 393.3 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 393.09608521 g/mol
Monoisotopic Mass 393.09608521 g/mol
Topological Polar Surface Area 126 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 861
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Rubitecan is a pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group. It is a prodrug for 9-aminocamptothecin. It has a role as an antineoplastic agent, an EC 5.99.1.2 (DNA topoisomerase) inhibitor and a prodrug. It is a pyranoindolizinoquinoline, a C-nitro compound, a semisynthetic derivative, a tertiary alcohol and a delta-lactone.