NALOXEGOL OXALATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2014)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 65I14TNM33
Parent Compound: NALOXEGOL

Structure
InChI Key MNYIRXLCPODKLG-VUTNLTPYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Mu opioid receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
26.2
General disorders and administration site conditions
18.07
Injury, poisoning and procedural complications
11.34
Nervous system disorders
8.09
Psychiatric disorders
7.36
Musculoskeletal and connective tissue disorders
6.69
Skin and subcutaneous tissue disorders
3.32
Vascular disorders
2.96
Investigations
2.82
Respiratory, thoracic and mediastinal disorders
2.13

Cross References

Resources Reference
ChEMBL CHEMBL2219416
EPA CompTox DTXSID50159395
FDA SRS 65I14TNM33
PubChem 56959086
SureChEMBL SCHEMBL20839999
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