Naloxegol
(4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Identity
Naloxegol
(4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
PubChem CID: 56959087
Naloxegol is an organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation. It has a role as a mu-opioid receptor antagonist and a cathartic. It is a tertiary alcohol, a member of phenols, an aromatic ether, an organic heteropentacyclic compound and a polyether. It is functionally related to a naloxone. It derives from a hydride of a morphinan.
2D Structure
Properties
C34H53NO11
Molecular Formula
651.80
Molecular Weight
g/mol
651.3619
Exact Mass
Da
-1
XLogP
Drug-like (Lipinski: < 5)
127
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
12
H-Bond Acceptors
899
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Naloxegol854601-70-0NKTR-118moventigNKTR118NKTR 11844T7335BKEAZ13337019AZ-13337019(4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diolCHEBI:82975DTXSID80234684naloxegolum(4R,4aS,7S,7aR,12bS)-7-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro(3,2-e)isoquinoline-4a,9-diolRefChem:57232
Data from PubChem (NCBI)
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