METHADONE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1947)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 229809935B
Parent Compound: METHADONE

Structure
InChI Key FJQXCDYVZAHXNS-UHFFFAOYSA-N
Smile CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChI
InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28ClNO
Molecular Weight 345.91
AlogP 4.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 20.31
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 1 D015658 ClinicalTrials
Intervertebral Disc Degeneration 1 D055959 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
14.44
Nervous system disorders
13.4
General disorders and administration site conditions
9.07
Gastrointestinal disorders
8.32
Injury, poisoning and procedural complications
7.44
Respiratory, thoracic and mediastinal disorders
7.2
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
6.91
Cardiac disorders
4.16
Investigations
3.85
Metabolism and nutrition disorders
3.17
Infections and infestations
3.1
Pregnancy, puerperium and perinatal conditions
2.98
Vascular disorders
2.76
Skin and subcutaneous tissue disorders
2.12
Reproductive system and breast disorders
2.09

Cross References

Resources Reference
ChEBI 50140
ChEMBL CHEMBL1200825
EPA CompTox DTXSID2020501
FDA SRS 229809935B
Guide to Pharmacology 5458
KEGG C07163
PubChem 14184
SureChEMBL SCHEMBL24293
ZINC ZINC01530707
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