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Metoclopramide
CAS: 364-62-5 | C14H22ClN3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
364-62-5
Molecular Formula:
C14H22ClN3O2
Molecular Weight:
299.8020000000001 g/mol
Names and Synonyms:
Metoclopramide
Afipran
Orpamid
Macperan
Metocobil
Gastrotem
Gastro-Timelets
Regla
Gastromax
Emperal
Gastrese
Metamide
Metramid
Draclamid
Maxeran
Gastro-tablinen
Meclopran
Gastrosil
Clopromate
MCP-ratiopharm
Eucil
Parmid
Plasil (pharmaceutical)
Primperan
Metoclol
Moriperan
Reliveran
DEL 1267
4-Amino-5-chloro-2-methoxy-N-(β-diethylaminoethyl)benzamide
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide
2-Methoxy-4-amino-5-chloro-N,N-dimethylaminoethylbenzamide
N-[2-(Diethylamino)ethyl]-4-amino-5-chloro-2-methoxybenzamide
N-(2-Diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide
Metochlopramide
Plasil
Metoclopramide
2-Methoxy-5-chloroprocainamide
Methochlopramide
N-(Diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide
N-(Diethylaminoethyl)-2-methoxy-4-amino-5-chlorbenzamide
5-Chloro-2-methoxyprocainamide
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
o-Anisamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-
Benzamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-
Gastrobid
Identifiers:
SMILES:
CCN(CC)CCN=C(O)c1cc(Cl)c(N)cc1OC
InChI:
InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-name | Metoclopramide None | Legacy Database |
| molecular_mass | 299.80 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NCCN(CC)CC)C=1C=C(Cl)C(N)=CC1OC None | Legacy Database |
| cas-inchi | InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19) None | Legacy Database |
| cas-inchi-key | InChIKey=TTWJBBZEZQICBI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 147.25 °C None | Legacy Database |
| LogP | 2.5772000000000013 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 299.8020000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 299.14005462399996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 71.08 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 84.23720000000004 | RDKit |
