1-NAPHTHYL PYROVALERONE HYDROCHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H23NO.ClH
Molecular Weight	317.853
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-NAPHTHYL PYROVALERONE HYDROCHLORIDE

Structure Search

SMILES

Cl.CCCC(N1CCCC1)C(=O)C2=C3C=CC=CC3=CC=C2

InChI

InChIKey=ZXZHLWWXPQQYJX-UHFFFAOYSA-N

InChI=1S/C19H23NO.ClH/c1-2-8-18(20-13-5-6-14-20)19(21)17-12-7-10-15-9-3-4-11-16(15)17;/h3-4,7,9-12,18H,2,5-6,8,13-14H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C19H23NO
Molecular Weight	281.392
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Potency
Norepinephrine transporter 191 Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23261499 \| https://www.ncbi.nlm.nih.gov/pubmed/16480278	Inhibitor 8297	6.27 null [pKi]
Dopamine transporter 180 Target ID: CHEMBL238 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23261499 \| https://www.ncbi.nlm.nih.gov/pubmed/16480278	Inhibitor 8297	48.0 nM [Ki]
Serotonin transporter 178 Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23261499 \| https://www.ncbi.nlm.nih.gov/pubmed/16480278	Inhibitor 8297	33.1 nM [Ki]

PubMed

Title	Date	PubMed
1-(4-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one (Pyrovalerone) analogues: a promising class of monoamine uptake inhibitors.	2006 Feb 23	16480278
Neurochemical profiles of some novel psychoactive substances.	2013 Jan 30	23261499

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:20:12 GMT 2023` Edited by `admin` on `Sat Dec 16 10:20:12 GMT 2023`
Record UNII	P3VE8D3SL2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-NAPHTHYL PYROVALERONE HYDROCHLORIDE

Common Name

English

1-PENTANONE, 1-(1-NAPHTHALENYL)-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

NAPHYRONE 1-NAPHTHYL ISOMER (HYDROCHLORIDE)

Common Name

English

Code System Code Type Description

CAS

1349245-31-3

Created by admin on Sat Dec 16 10:20:12 GMT 2023 , Edited by admin on Sat Dec 16 10:20:12 GMT 2023

PRIMARY

FDA UNII

P3VE8D3SL2

Created by admin on Sat Dec 16 10:20:12 GMT 2023 , Edited by admin on Sat Dec 16 10:20:12 GMT 2023

PRIMARY

PUBCHEM

11702467

Created by admin on Sat Dec 16 10:20:12 GMT 2023 , Edited by admin on Sat Dec 16 10:20:12 GMT 2023

PRIMARY

EPA CompTox

DTXSID401043057

Created by admin on Sat Dec 16 10:20:12 GMT 2023 , Edited by admin on Sat Dec 16 10:20:12 GMT 2023

PRIMARY

Related Record Type Details


					G55TA24PMA

1-(NAPHTHALEN-1-YL)-2-(PYRROLIDIN-1-YL)PENTAN-1-ONE

PARENT -> SALT/SOLVATE