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Homecas79955-36-5

79955-36-5

79955-36-5 structural image
Product Name: N'-(2-chloroethyl)-N-(2-(methylsulfonyl)ethyl)-N'-nitrosourea
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COMPUTED DESCRIPTORS

Molecular Weight 257.70 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 257.0237047 g/mol
Monoisotopic Mass 257.0237047 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 313
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Cystemustine is a chloroethylating nitrosourea that causes DNA cross-linking, inhibiting DNA replication. (NCI)