FENTANYL HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2006)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 59H156XY46
Parent Compound: FENTANYL

Structure
InChI Key LHCBOXPPRUIAQT-UHFFFAOYSA-N
Smile CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl
InChI
InChI=1S/C22H28N2O.ClH/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;/h3-12,21H,2,13-18H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29ClN2O
Molecular Weight 372.94
AlogP 4.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 23.55
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
30.56
Injury, poisoning and procedural complications
30.56
Skin and subcutaneous tissue disorders
19.44
Nervous system disorders
6.94
Psychiatric disorders
5.56
Gastrointestinal disorders
2.78

Cross References

Resources Reference
ChEMBL CHEMBL1201159
EPA CompTox DTXSID90162666
FDA SRS 59H156XY46
PubChem 83932
SureChEMBL SCHEMBL242876
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