NALMEFENE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: K7K69QC05X

Structure
InChI Key GYWMRGWFQPSQLK-OPHZJPRHSA-N
Smile C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl
InChI
InChI=1S/C21H25NO3.ClH/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13;/h4-5,13,16,19,23-24H,1-3,6-11H2;1H/t16-,19+,20+,21-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26ClNO3
Molecular Weight 375.9
AlogP 2.51
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 52.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Opioid receptors; mu/kappa/delta antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alcoholism 3 D000437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1201152
EPA CompTox DTXSID70891705
FDA SRS K7K69QC05X
SureChEMBL SCHEMBL628721
CONTENTS