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

Details

Stereochemistry RACEMIC
Molecular Formula C13H17NO3
Molecular Weight 235.279
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-METHYLENEDIOXY-N-ISOPROPYLCATHINONE

SMILES

CC(C)NC(C)C(=O)C1=CC=C2OCOC2=C1

InChI

InChIKey=ZGELXFOIEWJEFM-UHFFFAOYSA-N
InChI=1S/C13H17NO3/c1-8(2)14-9(3)13(15)10-4-5-11-12(6-10)17-7-16-11/h4-6,8-9,14H,7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H17NO3
Molecular Weight 235.279
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:05 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:05 GMT 2023
Record UNII
E6WV8J6M4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-METHYLENEDIOXY-N-ISOPROPYLCATHINONE
Systematic Name English
1-PROPANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-((1-METHYLETHYL)AMINO)-
Systematic Name English
1-(BENZO(D)(1,3)DIOXOL-5-YL)-2-(ISOPROPYLAMINO)PROPAN-1-ONE
Systematic Name English
IPRONE
Common Name English
1-(1,3-BENZODIOXOL-5-YL)-2-((1-METHYLETHYL)AMINO)-1-PROPANONE
Systematic Name English
Code System Code Type Description
FDA UNII
E6WV8J6M4Y
Created by admin on Sat Dec 16 18:37:05 GMT 2023 , Edited by admin on Sat Dec 16 18:37:05 GMT 2023
PRIMARY
CAS
186028-81-9
Created by admin on Sat Dec 16 18:37:05 GMT 2023 , Edited by admin on Sat Dec 16 18:37:05 GMT 2023
PRIMARY
PUBCHEM
85710942
Created by admin on Sat Dec 16 18:37:05 GMT 2023 , Edited by admin on Sat Dec 16 18:37:05 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY