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

Details

Stereochemistry RACEMIC
Molecular Formula C14H17NO4
Molecular Weight 263.2891
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((1-METHYL-2-(4-METHYLPHENYL)-2-OXOETHYL)AMINO)-4-OXOBUTANOIC ACID

SMILES

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

InChI

InChIKey=QJWWGFZDTRIGFY-UHFFFAOYSA-N
InChI=1S/C14H17NO4/c1-9-3-5-11(6-4-9)14(19)10(2)15-12(16)7-8-13(17)18/h3-6,10H,7-8H2,1-2H3,(H,15,16)(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H17NO4
Molecular Weight 263.2891
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 15:31:42 UTC 2023
Edited
by admin
on Sat Dec 16 15:31:42 UTC 2023
Record UNII
1U0IQP2YXP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((1-METHYL-2-(4-METHYLPHENYL)-2-OXOETHYL)AMINO)-4-OXOBUTANOIC ACID
Systematic Name English
MEPHEDRONE METABOLITE M4
Common Name English
BUTANOIC ACID, 4-((1-METHYL-2-(4-METHYLPHENYL)-2-OXOETHYL)AMINO)-4-OXO-
Systematic Name English
Code System Code Type Description
CAS
1826882-04-5
Created by admin on Sat Dec 16 15:31:42 UTC 2023 , Edited by admin on Sat Dec 16 15:31:42 UTC 2023
PRIMARY
FDA UNII
1U0IQP2YXP
Created by admin on Sat Dec 16 15:31:42 UTC 2023 , Edited by admin on Sat Dec 16 15:31:42 UTC 2023
PRIMARY
PUBCHEM
146014920
Created by admin on Sat Dec 16 15:31:42 UTC 2023 , Edited by admin on Sat Dec 16 15:31:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VIVO
URINE