Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 1P2XIB510O
Parent Compound: PENTAZOCINE

Structure

InChI Key QNLDTXPVZPRSAM-UHFFFAOYSA-N
Smiles CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C.CC(O)C(=O)O
InChI
InChI=1S/C19H27NO.C3H6O3/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;1-2(4)3(5)6/h5-7,12,14,18,21H,8-11H2,1-4H3;2,4H,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H33NO4
Molecular Weight 375.51
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

Bioactivity

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

Description: Sigma non-opioid intracellular receptor 1

Organism : Homo sapiens

Q99720 ENSG00000147955

Cross References

Resources Reference
ChEMBL CHEMBL3989509
FDA SRS 1P2XIB510O
PubChem 656697
SureChEMBL SCHEMBL16107180