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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21NO3
Molecular Weight 275.3428
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLENEDIOXYPYROVALERONE, (R)-

SMILES

CCC[C@@H](N1CCCC1)C(=O)C2=CC=C3OCOC3=C2

InChI

InChIKey=SYHGEUNFJIGTRX-CYBMUJFWSA-N
InChI=1S/C16H21NO3/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/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H21NO3
Molecular Weight 275.3428
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:54:58 GMT 2023
Edited
by admin
on Sat Dec 16 01:54:58 GMT 2023
Record UNII
C5HHY46S0F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLENEDIOXYPYROVALERONE, (R)-
Common Name English
(2R)-1-(1,3-BENZODIOXOL-5-YL)-2-(1-PYRROLIDINYL)-1-PENTANONE
Systematic Name English
(R)-MDPV
Common Name English
1-PENTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(1-PYRROLIDINYL)-, (2R)-
Systematic Name English
Code System Code Type Description
CAS
1388142-27-5
Created by admin on Sat Dec 16 01:54:59 GMT 2023 , Edited by admin on Sat Dec 16 01:54:59 GMT 2023
PRIMARY
FDA UNII
C5HHY46S0F
Created by admin on Sat Dec 16 01:54:59 GMT 2023 , Edited by admin on Sat Dec 16 01:54:59 GMT 2023
PRIMARY
PUBCHEM
29416262
Created by admin on Sat Dec 16 01:54:59 GMT 2023 , Edited by admin on Sat Dec 16 01:54:59 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER