EcoDrugPlus


Synonyms	Centroton F 1983 F-1983 Pyrovalerone hcl Pyrovalerone hydrochloride SP-1059 Thymergix
Status
Molecule Category	Salt-form
UNII	Z95Z9C2201

Synonyms

Centroton

F 1983

F-1983

Pyrovalerone hcl

Pyrovalerone hydrochloride

SP-1059

Thymergix

Status

Molecule Category

Salt-form

UNII

Z95Z9C2201


InChI Key	MWRACNBZNVAJHE-UHFFFAOYSA-N
Smiles	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

InChI Key

MWRACNBZNVAJHE-UHFFFAOYSA-N

Smiles

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

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

Property Name

Value

Molecular Formula

C16H24ClNO

Molecular Weight

281.83

AlogP

3.44

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

20.31

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

18.0

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

Mechanism of Action

Action

Reference

Monoamine transporters; Norepinephrine & dopamine inhibitor

INHIBITOR

PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL2104793
FDA SRS	Z95Z9C2201
PubChem	14372
SureChEMBL	SCHEMBL121638

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

PYROVALERONE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References