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Molecule
Chlorpheniramine Maleate
CAS: 113-92-8 · C20H23ClN2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 113-92-8
- Molecular Formula
- C20H23ClN2O4
- Molecular Mass
- 390.87 g/mol
Identifiers
CAS Registry Number
113-92-8
SMILES
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=CC(=O)O
InChI Key
DBAKFASWICGISY-BTJKTKAUSA-N
InChI
InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Names and Synonyms
- Chlorpheniramine Maleate Common Name
- 2-Pyridinepropanamine, γ-(4-chlorophenyl)-N,N-dimethyl-, (2Z)-2-butenedioate (1:1) Synonym
- Pyridine, 2-[p-chloro-α-[2-(dimethylamino)ethyl]benzyl]-, maleate (1:1) Synonym
- 2-Pyridinepropanamine, γ-(4-chlorophenyl)-N,N-dimethyl-, (Z)-2-butenedioate (1:1) Synonym
- 1-p-Chlorophenyl-1-(2-pyridyl)-3-dimethylaminopropane maleate Synonym
- Histadur dura-tabs Synonym
- Ibioton Synonym
- 1-Parachlorophenyl-1-(2-pyridyl)-3-dimethylaminopropane maleate Synonym
- Piriex Synonym
- Synistamin Synonym
- Teldrin Synonym
- Chlorpheniramine maleate Synonym
- Piriton Synonym
- Chlor-Trimeton Synonym
- Chloroprophenpyridamine maleate Synonym
- Chlor-Tripolon Synonym
- Chlorprophenpyridamine maleate Synonym
- Carbinoxamide maleate Synonym
- Neorestamin Synonym
- Allergin Synonym
- Chlorphenamine maleate Synonym
- Puermin Synonym
- dl-Chlorpheniramine maleate Synonym
- (±)-Chlorpheniramine maleate Synonym
- Chlorophenamine Synonym
- Cloropiril Synonym
- Allergisan Synonym
- Histaspan Synonym
- Antagonate Synonym
- C-Meton Synonym
- Chlorphenamine hydrogen maleate Synonym
- Pyridamal 100 Synonym
- Histadur Synonym
- Lorphen Synonym
- Pirafene Synonym
- Anallerge 4 Synonym
- Calimal Synonym
- Niramine Synonym
- Iramine Synonym
- Histamil Synonym
- Chlorphenamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 390.87 g/mol | CAS Common Chemistry |
| 390.86700000000013 g/mol | RDKit | |
| 390.867 g/mol | RDKit | |
| 390.864 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C=CC(=O)O.ClC1=CC=C(C=C1)C(C2=NC=CC=C2)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | CAS Common Chemistry |
| InChI Key | InChIKey=DBAKFASWICGISY-BTJKTKAUSA-N | CAS Common Chemistry |
| Melting Point | 130-135 °C | CAS Common Chemistry |
| Name | Chlorpheniramine maleate | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 90.73 Ų | RDKit |
| 89.97 Ų | chempirical lib | |
| LogP | 3.5304 | RDKit |
| 3.45 | chempirical lib | |
| Molar Refractivity | 105.1146000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 390.1346348959999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 390.87 g/mol. Edit any field — others recompute live.
