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Metoclopramide
CAS: 364-62-5 | C14H22ClN3O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
364-62-5
Molecular Formula:
C14H22ClN3O2
Molecular Mass:
299.80 g/mol
Names and Synonyms:
Metoclopramide
Gastrobid
Benzamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-
o-Anisamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
5-Chloro-2-methoxyprocainamide
N-(Diethylaminoethyl)-2-methoxy-4-amino-5-chlorbenzamide
N-(Diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide
Methochlopramide
2-Methoxy-5-chloroprocainamide
Metoclopramide
Plasil
Metochlopramide
N-(2-Diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide
N-[2-(Diethylamino)ethyl]-4-amino-5-chloro-2-methoxybenzamide
2-Methoxy-4-amino-5-chloro-N,N-dimethylaminoethylbenzamide
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide
4-Amino-5-chloro-2-methoxy-N-(β-diethylaminoethyl)benzamide
DEL 1267
Reliveran
Moriperan
Metoclol
Primperan
Plasil (pharmaceutical)
Parmid
Eucil
MCP-ratiopharm
Clopromate
Gastrosil
Meclopran
Gastro-tablinen
Maxeran
Draclamid
Metramid
Metamide
Gastrese
Emperal
Gastromax
Regla
Gastro-Timelets
Gastrotem
Metocobil
Macperan
Orpamid
Afipran
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)
Key Properties
Melting Point
147.25 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 299.80 g/mol | CAS Common Chemistry |
| 299.8020000000001 g/mol | RDKit | |
| 299.14005462399996 g/mol | RDKit | |
| Canonical SMILES | O=C(NCCN(CC)CC)C=1C=C(Cl)C(N)=CC1OC | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=TTWJBBZEZQICBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147.25 °C | CAS Common Chemistry |
| Name | Metoclopramide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 71.08 Ų | RDKit |
| LogP | 2.5772000000000013 | RDKit |
| Molar Refractivity | 84.23720000000004 | RDKit |
