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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13NO4
Molecular Weight 223.2252
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-(ACETYLAMINO)-2-METHOXYBENZOATE

SMILES

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

InChI

InChIKey=OERVVBDWGVOBIS-UHFFFAOYSA-N
InChI=1S/C11H13NO4/c1-7(13)12-8-4-5-9(11(14)16-3)10(6-8)15-2/h4-6H,1-3H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C11H13NO4
Molecular Weight 223.2252
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-(acetylamino)-2-methoxybenzoate is one of metoclopramide impurities. Methyl 4-(acetylamino)-2-methoxybenzoate can be used as an intermediate for the synthesis of Irritable bowel syndrome modulator anticancer agents and other compounds.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
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 Dec 16 08:25:02 UTC 2023
Edited
by admin
on Sat Dec 16 08:25:02 UTC 2023
Record UNII
W4UJW899BA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-(ACETYLAMINO)-2-METHOXYBENZOATE
Systematic Name English
METHYL 4-(ACETYLAMINO)-O-ANISATE
Common Name English
METOCLOPRAMIDE RELATED COMPOUND D
USP-RS  
Common Name English
BENZOIC ACID, 4-(ACETYLAMINO)-2-METHOXY-, METHYL ESTER
Systematic Name English
METOCLOPRAMIDE RELATED COMPOUND D [USP-RS]
Common Name English
METOCLOPRAMIDE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1440841
Created by admin on Sat Dec 16 08:25:02 UTC 2023 , Edited by admin on Sat Dec 16 08:25:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID7057739
Created by admin on Sat Dec 16 08:25:02 UTC 2023 , Edited by admin on Sat Dec 16 08:25:02 UTC 2023
PRIMARY
FDA UNII
W4UJW899BA
Created by admin on Sat Dec 16 08:25:02 UTC 2023 , Edited by admin on Sat Dec 16 08:25:02 UTC 2023
PRIMARY
PUBCHEM
77720
Created by admin on Sat Dec 16 08:25:02 UTC 2023 , Edited by admin on Sat Dec 16 08:25:02 UTC 2023
PRIMARY
ECHA (EC/EINECS)
223-839-6
Created by admin on Sat Dec 16 08:25:02 UTC 2023 , Edited by admin on Sat Dec 16 08:25:02 UTC 2023
PRIMARY
CAS
4093-29-2
Created by admin on Sat Dec 16 08:25:02 UTC 2023 , Edited by admin on Sat Dec 16 08:25:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP