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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12ClNO4
Molecular Weight 257.6706
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-ACETAMIDO-5-CHLORO-2-METHOXYBENZOATE

SMILES

CC(=Nc1cc(c(cc1Cl)C(=O)OC)OC)O

InChI

InChIKey=OUEXNQRVYGYGIK-UHFFFAOYSA-N
InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C11H12ClNO4
Molecular Weight 257.6706
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment:: The description was created based on several sources, including https://goo.gl/MPwFbX | http://www.eurekaselect.com/97538/article

Methyl 4-acetamido-5-chloro-2-methoxybenzoate is one of metoclopramide impurities.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Evaluation of a new polymeric stationary phase with reversed-phase properties for high temperature liquid chromatography.
2010 May 7
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Jun 26 06:20:45 UTC 2021
Edited
by admin
on Sat Jun 26 06:20:45 UTC 2021
Record UNII
3D7Z5O4UXA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-ACETAMIDO-5-CHLORO-2-METHOXYBENZOATE
Systematic Name English
METOCLOPRAMIDE RELATED COMPOUND B [USP-RS]
Common Name English
METHYL 2-METHOXY-4-ACETAMIDO-5-CHLOROBENZOATE
Systematic Name English
METHYL 4-ACETAMIDO-5-CHLORO-O-ANISATE
Common Name English
BENZOIC ACID, 4-(ACETYLAMINO)-5-CHLORO-2-METHOXY-, METHYL ESTER
Systematic Name English
METOCLOPRAMIDE SPECIFIED IMPURITY B [EP]
Common Name English
METOCLOPRAMIDE RELATED COMPOUND B
USP-RS  
Common Name English
METHYL 2-METHOXY-4-ACETYLAMINO-5-CHLOROBENZOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
77721
Created by admin on Sat Jun 26 06:20:45 UTC 2021 , Edited by admin on Sat Jun 26 06:20:45 UTC 2021
PRIMARY
CAS
4093-31-6
Created by admin on Sat Jun 26 06:20:45 UTC 2021 , Edited by admin on Sat Jun 26 06:20:45 UTC 2021
PRIMARY
ECHA (EC/EINECS)
223-840-1
Created by admin on Sat Jun 26 06:20:45 UTC 2021 , Edited by admin on Sat Jun 26 06:20:45 UTC 2021
PRIMARY
EPA CompTox
4093-31-6
Created by admin on Sat Jun 26 06:20:45 UTC 2021 , Edited by admin on Sat Jun 26 06:20:45 UTC 2021
PRIMARY
USP_CATALOG
1440820
Created by admin on Sat Jun 26 06:20:45 UTC 2021 , Edited by admin on Sat Jun 26 06:20:45 UTC 2021
PRIMARY USP-RS
FDA UNII
3D7Z5O4UXA
Created by admin on Sat Jun 26 06:20:45 UTC 2021 , Edited by admin on Sat Jun 26 06:20:45 UTC 2021
PRIMARY
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