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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H20ClN3O2
Molecular Weight 285.77
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DESMETHYL METOCLOPRAMIDE

SMILES

CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1O

InChI

InChIKey=HPSMMIJTHMWCGC-UHFFFAOYSA-N
InChI=1S/C13H20ClN3O2/c1-3-17(4-2)6-5-16-13(19)9-7-10(14)11(15)8-12(9)18/h7-8,18H,3-6,15H2,1-2H3,(H,16,19)

HIDE SMILES / InChI

Molecular Formula C13H20ClN3O2
Molecular Weight 285.77
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Identification of four new metabolic products of metoclopramide using mass spectrometry.
1976 Oct
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:04 UTC 2023
Edited
by admin
on Sat Dec 16 08:25:04 UTC 2023
Record UNII
P5DX3Q3OG4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESMETHYL METOCLOPRAMIDE
Common Name English
BENZAMIDE, 4-AMINO-5-CHLORO-N-(2-(DIETHYLAMINO)ETHYL)-2-HYDROXY-
Systematic Name English
2-HYDROXY-4-AMINO-5-CHLORO-N,N-DIETHYLAMINOETHYLBENZAMIDE
Systematic Name English
METOCLOPRAMIDE IMPURITY F [EP IMPURITY]
Common Name English
4-AMINO-5-CHLORO-N-(2-(DIETHYLAMINO)ETHYL)-2-HYDROXYBENZAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
P5DX3Q3OG4
Created by admin on Sat Dec 16 08:25:05 UTC 2023 , Edited by admin on Sat Dec 16 08:25:05 UTC 2023
PRIMARY
CAS
38339-95-6
Created by admin on Sat Dec 16 08:25:05 UTC 2023 , Edited by admin on Sat Dec 16 08:25:05 UTC 2023
PRIMARY
PUBCHEM
9817332
Created by admin on Sat Dec 16 08:25:05 UTC 2023 , Edited by admin on Sat Dec 16 08:25:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID40191704
Created by admin on Sat Dec 16 08:25:05 UTC 2023 , Edited by admin on Sat Dec 16 08:25:05 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP