NALOXEGOL

Search structure
Synonyms:
Status: Approved (2014)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A06AH03
UNII: 44T7335BKE

Structure
InChI Key XNKCCCKFOQNXKV-ZRSCBOBOSA-N
Smile C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5
InChI
InChI=1S/C34H53NO11/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/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H53NO11
Molecular Weight 651.79
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Constipation 4 D003248 ClinicalTrials
Ileus 3 D045823 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 854601-70-0
ChEBI 82975
ChEMBL CHEMBL2219418
DrugBank DB09049
DrugCentral 4832
EPA CompTox DTXSID80234684
FDA SRS 44T7335BKE
Guide to Pharmacology 7539
PubChem 56959087
SureChEMBL SCHEMBL19433066
ZINC ZINC000095564694
CONTENTS