Molecular Details

DICL_CP_0235961 - 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0235961

PubChem CID

23659

Molecular Formula

C₁₄H₂₃Cl₂N₃O₂

Molecular Weight

335.117 g/mol

Synonyms/Alias

Metoclopramide hydrochloride|7232-21-5|Maxolon|METOCLOPRAMIDE HCL|Metoclopramide monohydrochloride|Cerucal|Paspertin|Clopra|Reglan|4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide hydroch...Metoclopramide hydrochloride|7232-21-5|Maxolon|METOCLOPRAMIDE HCL|Metoclopramide monohydrochloride|Cerucal|Paspertin|Clopra|Reglan|4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide hydrochloride|Metozolv|Metozolv ODT|Metoclopramide hydrochloride anhydrous|MFCD00058011|7B1QZY5SWZ|Metoclopramide (hydrochloride)|MLS000069667|Benzamide; 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxy-; monohydrochloride|NSC-354467|Rimetin|SMR000058471|4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide hydrochloride|4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride|Primperan (tablet)|Metoclopramide hydrochloride 100 microg/mL in Acetonitrile|Metoclopramide Intensol|BRL-9200|Reglan ODT|CCRIS 7142|SR-01000000165|EINECS 230-634-5|UNII-7B1QZY5SWZ|NSC 354467|4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride|4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide hydrochloride|Prestwick_332|Opera_ID_1671|MLS001074186|MLS002222202|o-Anisamide; monohydrochloride|SCHEMBL205200|SPECTRUM1500410|CHEMBL1256771|DTXSID10964306|RVFUNJWWXKCWNS-UHFFFAOYSA-N|HMS1568J19|HMS1920N15|Metoclopramide hydrochloride; solid|Pharmakon1600-01500410|BCP28471|Tox21_500762|MFCD00150634|NSC354467|NSC757117|AKOS015889947|o-Anisamide; 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-; monohydrochloride|CCG-212697|HS-0006|LP00762|NC00519|4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide monohydrochloride|NCGC00094102-01|NCGC00094102-02|NCGC00094102-03|NCGC00094102-04|NCGC00094102-05|NCGC00261447-01|WLN: 2N2&2MVR DZ CG FO1 &GH|EU-0100762|NS00093557|S4289|SW196611-3|VU0239518-5|G86017|M 0763|EN300-18536337|SR-01000000165-2|SR-01000000165-7|Q27267998|4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide|4-AMINO-5-CHLORO-N-(2-(DIETHYLAMINO)ETHYL)-O-ANISAMIDE MONOHYDROCHLORIDE|Benzamide; 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxy-; monohydrochloride (9CI)|Benzamide; 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-; hydrochloride (1:1)

InChI Key

RVFUNJWWXKCWNS-UHFFFAOYSA-N

InChI

InChI=1S/C14H22ClN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3...

IUPAC Name

4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

44 43 0 0 0 0 0 0 0 0999 V2000
2.2312 -0.0044 -1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4508 -0.8016 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7649 0...

Download SDF File (3809 bytes)

Experimental Data

Activity Data

Target Ion Channel

Voltage-gated inwardly rectifying potassium channel KCNH2

Uniprot Accession Number

Q12809

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

12.82050% inhibition at 1uM

Experimental Conditions

pH

pH 7.4

Holding Potential

−70 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

Chinese hamster ovary (CHO) cells

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1371/journal.pone.0199348

URL

N/A (Not available)

PMID

29979714

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

21

Rotatable Bonds

7

logP

N/A

Complexity

300

TPSA (Å²)

67.6

H-Bond Donors

3

H-Bond Acceptors

4

Ring Count

1

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