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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O3
Molecular Weight 178.185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-METHYLENEDIOXYPHENYL-2-PROPANONE

SMILES

CC(=O)Cc1ccc2c(c1)OCO2

InChI

InChIKey=XIYKRJLTYKUWAM-UHFFFAOYSA-N
InChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H10O3
Molecular Weight 178.185
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:10:22 UTC 2021
Edited
by admin
on Sat Jun 26 00:10:22 UTC 2021
Record UNII
PNA80F81BT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-METHYLENEDIOXYPHENYL-2-PROPANONE
Systematic Name English
METHYL PIPERONYL KETONE
Common Name English
NSC-16688
Code English
1-(1,3-BENZODIOXOL-5-YL)ACETONE
Systematic Name English
DEA NO. 8502
Code English
2-PROPANONE, 1-(1,3-BENZODIOXOL-5-YL)-
Systematic Name English
3,4-METHYLENEDIOXYPHENYLPROPAN-2-ONE
Common Name English
Code System Code Type Description
EPA CompTox
4676-39-5
Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021
PRIMARY
ECHA (EC/EINECS)
225-128-6
Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021
PRIMARY
PUBCHEM
78407
Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021
PRIMARY
DEA NO.
8502
Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021
PRIMARY
CAS
4676-39-5
Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021
PRIMARY
FDA UNII
PNA80F81BT
Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021
PRIMARY
WIKIPEDIA
3,4-Methylenedioxyphenylpropan-2-one
Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE