Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII A36BXO4PPX
Parent Compound: PENTAZOCINE

Structure

InChI Key OQGYMIIFOSJQSF-UHFFFAOYSA-N
Smiles CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C.Cl
InChI
InChI=1S/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28ClNO
Molecular Weight 321.89
AlogP 3.88
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Sigma opioid receptor modulator MODULATOR PubMed DailyMed

Target Conservation

Protein: Sigma opioid receptor

Description: Sigma non-opioid intracellular receptor 1

Organism : Homo sapiens

Q99720 ENSG00000147955

Cross References

Resources Reference
ChEMBL CHEMBL3989510
FDA SRS A36BXO4PPX
PubChem 441277
SureChEMBL SCHEMBL40964