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

Details

Stereochemistry RACEMIC
Molecular Formula C11H13NO4
Molecular Weight 223.2252
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(1,3-BENZODIOXOL-5-YL)-2-(HYDROXYMETHYLAMINO)-1-PROPANONE

SMILES

CC(N(C)O)C(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=OMOFQJPQZAGBGF-UHFFFAOYSA-N
InChI=1S/C11H13NO4/c1-7(12(2)14)11(13)8-3-4-9-10(5-8)16-6-15-9/h3-5,7,14H,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H13NO4
Molecular Weight 223.2252
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 Wed Apr 02 06:32:30 GMT 2025
Edited
by admin
on Wed Apr 02 06:32:30 GMT 2025
Record UNII
3SC7D9EI62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-HYDROXY-METHYLONE
Preferred Name English
1-(1,3-BENZODIOXOL-5-YL)-2-(HYDROXYMETHYLAMINO)-1-PROPANONE
Systematic Name English
1-PROPANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(HYDROXYMETHYLAMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
146014897
Created by admin on Wed Apr 02 06:32:30 GMT 2025 , Edited by admin on Wed Apr 02 06:32:30 GMT 2025
PRIMARY
FDA UNII
3SC7D9EI62
Created by admin on Wed Apr 02 06:32:30 GMT 2025 , Edited by admin on Wed Apr 02 06:32:30 GMT 2025
PRIMARY
CAS
1161849-08-6
Created by admin on Wed Apr 02 06:32:30 GMT 2025 , Edited by admin on Wed Apr 02 06:32:30 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO