Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
739BPR4PFI
Record Status Validated
Record Version
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Details

Stereochemistry RACEMIC
Molecular Formula C11H13NO3
Molecular Weight 207.2258
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 05:08:42 EDT 2021
Edited by admin on Wed Aug 04 05:08:42 EDT 2021
Structure of 4-(2-(METHYLAMINO)-1-OXOPROPYL)BENZOIC ACID

Systematic Names:

  • None recorded

SMILES

CNC(C)C(=O)C1=CC=C(C=C1)C(O)=O

InChI

ZJGFLTNMEIWKFJ-UHFFFAOYSA-N
InChI=1S/C11H13NO3/c1-7(12-2)10(13)8-3-5-9(6-4-8)11(14)15/h3-7,12H,1-2H3,(H,14,15)
Name Type Language Details Access References
4-(2-(METHYLAMINO)-1-OXOPROPYL)BENZOIC ACID
Systematic Name
English  
MEPHEDRONE METABOLITE M7
Common Name
English  
BENZOIC ACID, 4-(2-(METHYLAMINO)-1-OXOPROPYL)-
Systematic Name
English  
Code System Code Type Description Access References
CAS
1414684-32-4
Created by admin on Wed Aug 04 05:08:42 EDT 2021 , Edited by admin on Wed Aug 04 05:08:42 EDT 2021
PRIMARY
FDA UNII
739BPR4PFI
Created by admin on Wed Aug 04 05:08:42 EDT 2021 , Edited by admin on Wed Aug 04 05:08:42 EDT 2021
PRIMARY
PUBCHEM
67477510
Created by admin on Wed Aug 04 05:08:42 EDT 2021 , Edited by admin on Wed Aug 04 05:08:42 EDT 2021
PRIMARY
Related Record Type Details Access References
PARENT -> METABOLITE
Mediator Substance Details
none
IN VIVO
URINE
Created by admin on Wed Aug 04 05:08:42 EDT 2021 , Edited by admin on Wed Aug 04 05:08:42 EDT 2021
Created Wed Aug 04 05:08:42 EDT 2021
Created By admin
Last Edited Wed Aug 04 05:08:42 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 PUBCHEM PUBCHEM
2 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 05:08:42 EDT 2021
3 Pozo, Óscar J., et al. "Mass spectrometric evaluation of mephedrone in vivo human metabolism: identification of phase I and phase II metabolites, including a novel succinyl conjugate." Drug Metabolism and Disposition 43.2 (2015): 248-257. JA PUBLIC_DOMAIN_RELEASE
4 STN STN (SCIFINDER)
5 STN STN (SCIFINDER) PUBLIC_DOMAIN_RELEASE

Molecular Formula C11H13NO3
Molecular Weight 207.2258
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )