NALOXEGOL OXALATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 65I14TNM33
EPA CompTox DTXSID50159395
Parent Compound: NALOXEGOL

Structure

InChI Key MNYIRXLCPODKLG-VUTNLTPYSA-N
Smiles C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5.O=C(O)C(=O)O
InChI
InChI=1S/C34H53NO11.C2H2O4/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2;3-1(4)2(5)6/h3-5,28-29,32,36-37H,1,6-25H2,2H3;(H,3,4)(H,5,6)/t28-,29+,32-,33-,34+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H55NO15
Molecular Weight 741.83
AlogP 1.86
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 24.0
Polar Surface Area 126.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 46.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor antagonist ANTAGONIST FDA

Target Conservation

Protein: Mu opioid receptor
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038

Cross References

Resources Reference
ChEMBL CHEMBL2219416
FDA SRS 65I14TNM33
PubChem 56959086
SureChEMBL SCHEMBL20839999
CONTENTS