PYROVALERONE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z95Z9C2201

Structure
InChI Key MWRACNBZNVAJHE-UHFFFAOYSA-N
Smile CCCC(C(=O)c1ccc(C)cc1)N1CCCC1.Cl
InChI
InChI=1S/C16H23NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24ClNO
Molecular Weight 281.83
AlogP 3.44
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Monoamine transporters; Norepinephrine & dopamine inhibitor PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2104793
FDA SRS Z95Z9C2201
PubChem 14372
SureChEMBL SCHEMBL121638
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