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95056-36-3

95056-36-3 structural image
Product Name: N-7-(2-(Nitrophenyldithio)ethyl)mitomycin C
Formula: C23H25N5O7S2
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COMPUTED DESCRIPTORS

Molecular Weight 547.6 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 10
Exact Mass 547.11954050 g/mol
Monoisotopic Mass 547.11954050 g/mol
Topological Polar Surface Area 229 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 1080
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
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

BMY-25067 is an organic disulfide that is mitomycin C in which the amino group at position 7 is replaced by a {2-[(4-nitrophenyl)disulfanyl]ethyl}amino group. It is a derivative of mitomycin C with activity against a range of tumour cell lines and xenografts. It has a role as an antineoplastic agent. It is a C-nitro compound and an organic disulfide. It is functionally related to a mitomycin C.