U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C16H21NO3.ClH
Molecular Weight 311.804
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLENEDIOXYPYROVALERONE HYDROCHLORIDE

SMILES

Cl.CCCC(N1CCCC1)C(=O)C2=CC3=C(OCO3)C=C2

InChI

InChIKey=PYQZNWFQAMFAMT-UHFFFAOYSA-N
InChI=1S/C16H21NO3.ClH/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14;/h6-7,10,13H,2-5,8-9,11H2,1H3;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 C16H21NO3
Molecular Weight 275.3428
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
New designer drug of abuse: 3,4-Methylenedioxypyrovalerone (MDPV). Findings from apprehended drivers in Finland.
2011-07-15
Emergency department visits after use of a drug sold as "bath salts"--Michigan, November 13, 2010-March 31, 2011.
2011-05-20
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:35:20 GMT 2025
Edited
by admin
on Mon Mar 31 20:35:20 GMT 2025
Record UNII
R47YMU7Q3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3',4'-METHYLENEDIOXYPHENYL)-2-PYRROLIDINO-1-PENTANONE HYDROCHLORIDE
Preferred Name English
METHYLENEDIOXYPYROVALERONE HYDROCHLORIDE
Common Name English
MDPV HCL
Common Name English
VALEROPHENONE, 3',4'-(METHYLENEDIOXY)-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE
Systematic Name English
1-PENTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE
Systematic Name English
1-PENTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
R47YMU7Q3G
Created by admin on Mon Mar 31 20:35:20 GMT 2025 , Edited by admin on Mon Mar 31 20:35:20 GMT 2025
PRIMARY
PUBCHEM
24820602
Created by admin on Mon Mar 31 20:35:20 GMT 2025 , Edited by admin on Mon Mar 31 20:35:20 GMT 2025
PRIMARY
CAS
24622-62-6
Created by admin on Mon Mar 31 20:35:20 GMT 2025 , Edited by admin on Mon Mar 31 20:35:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID00947522
Created by admin on Mon Mar 31 20:35:20 GMT 2025 , Edited by admin on Mon Mar 31 20:35:20 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY