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914462-92-3

914462-92-3 structural image
Product Name: ROLAPITANT HYDROCHLORIDE
Formula: C25H29ClF6N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 555.0 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 5
Exact Mass 554.1770895 g/mol
Monoisotopic Mass 554.1770895 g/mol
Topological Polar Surface Area 51.4 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 731
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Rolapitant hydrochloride hydrate is a hydrate that is the monohydrate form of rolapitant hydrochloride. Used for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. It has a role as an antiemetic and a neurokinin-1 receptor antagonist. It contains a rolapitant hydrochloride (anhydrous).