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71628-96-1

71628-96-1 structural image
Product Name: Menogaril
Formula: C28H31NO10
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility H2O insoluble (<0.01) (mg/mL)
Stability/Shelf Life Bulk: Bulk stability studies indicate slight, gradual decomposition occurring over 30 days at room temperature and laboratory illumination; total decomposition was approximated at 2 %. Stored at 60 °C and in darkness, the sample is stable for at least 30 days (HPLC and TLC). Solution: Menogaril solutions (0.1 and 5 mg/mL are stable for at least 14 days at room temperature in the dark.
Optical Rotation (c = 0.15, CHC13) [a]21D = 920 ± 13°

COMPUTED DESCRIPTORS

Molecular Weight 541.5 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 2
Exact Mass 541.19479619 g/mol
Monoisotopic Mass 541.19479619 g/mol
Topological Polar Surface Area 166 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 1020
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
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

Menogaril is a semisynthetic derivative of the anthracycline antineoplastic antibiotic nogalamycin. Menogaril intercalates into DNA and interacts with topoisomerase II, thereby inhibiting DNA replication and repair and RNA and protein synthesis. This agent is less cardiotoxic than doxorubicin. (NCI04)