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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12ClNO4
Molecular Weight 257.67
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

COC(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC

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 257.67
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.

Originator

Approval Year

Unknown
139594
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

BE648164
1

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 Dec 16 08:05:03 UTC 2023
Edited
by admin
on Sat Dec 16 08:05:03 UTC 2023
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
METOCLOPRAMIDE IMPURITY B [EP IMPURITY]
Common 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 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 Dec 16 08:05:03 UTC 2023 , Edited by admin on Sat Dec 16 08:05:03 UTC 2023
PRIMARY
RS_ITEM_NUM
1440820
Created by admin on Sat Dec 16 08:05:03 UTC 2023 , Edited by admin on Sat Dec 16 08:05:03 UTC 2023
PRIMARY
CAS
4093-31-6
Created by admin on Sat Dec 16 08:05:03 UTC 2023 , Edited by admin on Sat Dec 16 08:05:03 UTC 2023
PRIMARY
ECHA (EC/EINECS)
223-840-1
Created by admin on Sat Dec 16 08:05:03 UTC 2023 , Edited by admin on Sat Dec 16 08:05:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID6057740
Created by admin on Sat Dec 16 08:05:03 UTC 2023 , Edited by admin on Sat Dec 16 08:05:03 UTC 2023
PRIMARY
FDA UNII
3D7Z5O4UXA
Created by admin on Sat Dec 16 08:05:03 UTC 2023 , Edited by admin on Sat Dec 16 08:05:03 UTC 2023
PRIMARY
Related Record Type Details
Structure of METOCLOPRAMIDE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of METOCLOPRAMIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of METOCLOPRAMIDE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
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