rolapitant

Ligand id: 5749

Name: rolapitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 50.36
Molecular weight 500.19
XLogP 7.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2015))
IUPAC Name
(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
International Nonproprietary Names
INN number INN
8882 rolapitant
Synonyms
SCH 619734 | SCH-619734 | Varubi®
Database Links
CAS Registry No. 552292-08-7 (source: SciFinder)
PubChem CID 10311306
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Comments
Rolapitant is an orally available neurokinin-1 (NK1) receptor antagonist.
Rolapitant is example 72b in patents US20110098468 [2] and US7049320 B2 [3].