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Molecule
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 Mass
- 299.80 g/mol
Identifiers
CAS Registry Number
364-62-5
SMILES
CCN(CC)CCN=C(O)c1cc(Cl)c(N)cc1OC
InChI Key
TTWJBBZEZQICBI-UHFFFAOYSA-N
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)
Names and Synonyms
- Metoclopramide Common Name
- Maxeran Synonym
- Draclamid Synonym
- Gastro-tablinen Synonym
- Gastrobid Synonym
- Benzamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy- Synonym
- o-Anisamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]- Synonym
- 4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide Synonym
- 5-Chloro-2-methoxyprocainamide Synonym
- N-(Diethylaminoethyl)-2-methoxy-4-amino-5-chlorbenzamide Synonym
- N-(Diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide Synonym
- Methochlopramide Synonym
- 2-Methoxy-5-chloroprocainamide Synonym
- Metoclopramide Synonym
- Plasil Synonym
- Metochlopramide Synonym
- N-(2-Diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide Synonym
- N-[2-(Diethylamino)ethyl]-4-amino-5-chloro-2-methoxybenzamide Synonym
- 2-Methoxy-4-amino-5-chloro-N,N-dimethylaminoethylbenzamide Synonym
- 4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide Synonym
- 4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide Synonym
- 4-Amino-5-chloro-2-methoxy-N-(β-diethylaminoethyl)benzamide Synonym
- DEL 1267 Synonym
- Reliveran Synonym
- Moriperan Synonym
- Metoclol Synonym
- Primperan Synonym
- Plasil (pharmaceutical) Synonym
- Parmid Synonym
- Eucil Synonym
- MCP-ratiopharm Synonym
- Clopromate Synonym
- Gastrosil Synonym
- Meclopran Synonym
- Metramid Synonym
- Metamide Synonym
- Gastrese Synonym
- Emperal Synonym
- Gastromax Synonym
- Regla Synonym
- Gastro-Timelets Synonym
- Gastrotem Synonym
- Metocobil Synonym
- Macperan Synonym
- Orpamid Synonym
- Afipran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 299.80 g/mol | CAS Common Chemistry |
| 299.8020000000001 g/mol | RDKit | |
| 299.802 g/mol | RDKit | |
| 299.799 g/mol | chempirical lib | |
| 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 |
| 70.85 Ų | chempirical lib | |
| LogP | 2.5772000000000013 | RDKit |
| 2.5772 | RDKit | |
| Molar Refractivity | 84.23720000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 299.14005462399996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 299.80 g/mol. Edit any field — others recompute live.
