Trade Names:
Synonyms:
Status: Approved (1967)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 1P2XIB510O
Parent Compound: PENTAZOCINE

Structure

InChI Key QNLDTXPVZPRSAM-UHFFFAOYSA-N
Smile 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

Pharmacology

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

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
47.99
Psychiatric disorders
14.61
Skin and subcutaneous tissue disorders
13.32
Gastrointestinal disorders
4.82
Musculoskeletal and connective tissue disorders
4.17
Vascular disorders
4.17
General disorders and administration site conditions
3.85

Cross References

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