.ALPHA.-PYRROLIDINOPROPIOPHENONE(HYDROCHLORIDE)

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H17NO.ClH
Molecular Weight	239.741
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-PYRROLIDINOPROPIOPHENONE(HYDROCHLORIDE)

Structure Search

SMILES

Cl.CC(N1CCCC1)C(=O)C2=CC=CC=C2

InChI

InChIKey=VQCZQKJXTMYEQV-UHFFFAOYSA-N

InChI=1S/C13H17NO.ClH/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12;/h2-4,7-8,11H,5-6,9-10H2,1H3;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	C13H17NO
Molecular Weight	203.2802
Charge	0
Count

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

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30845376	Antagonist 2778	5.6 null [pKi]
Serotonin transporter 178 Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27799294	Inhibitor 8297	188.0 µM [IC50]
Norepinephrine transporter 191 Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27799294	Inhibitor 8297	0.305 µM [IC50]
Dopamine transporter 180 Target ID: CHEMBL238 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27799294	Inhibitor 8297	0.54 µM [IC50]

PubMed

Title	Date	PubMed
Metabolism of the new designer drug alpha-pyrrolidinopropiophenone (PPP) and the toxicological detection of PPP and 4'-methyl-alpha-pyrrolidinopropiophenone (MPPP) studied in rat urine using gas chromatography-mass spectrometry.	2003 Nov 5	14581066

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:21:06 GMT 2023` Edited by `admin` on `Sat Dec 16 10:21:06 GMT 2023`
Record UNII	GR65F46FM8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-PYRROLIDINOPROPIOPHENONE(HYDROCHLORIDE)

Common Name

English

.ALPHA.-PPP HYDROCHLORIDE

Common Name

English

PROPIOPHENONE, 2-(1-PYRROLIDINYL)-, HYDROCHLORIDE

Systematic Name

English

1-PROPANONE, 1-PHENYL-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

GR65F46FM8

Created by admin on Sat Dec 16 10:21:06 GMT 2023 , Edited by admin on Sat Dec 16 10:21:06 GMT 2023

PRIMARY

CAS

92040-10-3

Created by admin on Sat Dec 16 10:21:06 GMT 2023 , Edited by admin on Sat Dec 16 10:21:06 GMT 2023

PRIMARY

PUBCHEM

21114962

Created by admin on Sat Dec 16 10:21:06 GMT 2023 , Edited by admin on Sat Dec 16 10:21:06 GMT 2023

PRIMARY

MANUFACTURER PRODUCT INFORMATION

.ALPHA.-PYRROLIDINOPROPIOPHENONE(HYDROCHLORIDE)

Created by admin on Sat Dec 16 10:21:06 GMT 2023 , Edited by admin on Sat Dec 16 10:21:06 GMT 2023

PRIMARY

α-Pyrrolidinopropiophenone (hydrochloride) is an analog of the appetite suppressant diethylcathinone and is related to the designer drug 4?-methyl-α-pyrrolidinopropiophenone (MPPP). In male Wistar rats, it is metabolized to a variety of products, including cathinone, the main psychoactive alkaloid of kath (Catha edulis). α-Pyrrolidinopropiophenone (hydrochloride) is intended to be used for forensic applications.