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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 Weight:
390.86700000000013 g/mol
Names and Synonyms:
Chlorpheniramine Maleate
Histadur
Pyridamal 100
Chlorphenamine hydrogen maleate
C-Meton
Antagonate
Histaspan
Allergisan
Cloropiril
Chlorophenamine
(±)-Chlorpheniramine maleate
dl-Chlorpheniramine maleate
Puermin
Chlorphenamine maleate
Allergin
Neorestamin
Carbinoxamide maleate
Chlorprophenpyridamine maleate
Chlor-Tripolon
Chloroprophenpyridamine maleate
Chlor-Trimeton
Piriton
Chlorpheniramine maleate
Teldrin
Synistamin
Piriex
1-Parachlorophenyl-1-(2-pyridyl)-3-dimethylaminopropane maleate
Ibioton
Histadur dura-tabs
1-p-Chlorophenyl-1-(2-pyridyl)-3-dimethylaminopropane maleate
2-Pyridinepropanamine, γ-(4-chlorophenyl)-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
Pyridine, 2-[p-chloro-α-[2-(dimethylamino)ethyl]benzyl]-, maleate (1:1)
2-Pyridinepropanamine, γ-(4-chlorophenyl)-N,N-dimethyl-, (2Z)-2-butenedioate (1:1)
Chlorphenamine
Histamil
Iramine
Niramine
Calimal
Anallerge 4
Pirafene
Lorphen
Identifiers:
SMILES:
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=CC(=O)O
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-
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 |
|---|---|---|
| molecular_mass | 390.87 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C=CC(=O)O.ClC1=CC=C(C=C1)C(C2=NC=CC=C2)CCN(C)C None | Legacy Database |
| cas-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- None | Legacy Database |
| cas-inchi-key | InChIKey=DBAKFASWICGISY-BTJKTKAUSA-N None | Legacy Database |
| cas-melting-point | 130-135 °C None | Legacy Database |
| cas-name | Chlorpheniramine maleate None | Legacy Database |
| LogP | 3.5304 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 390.86700000000013 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 390.1346348959999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 27 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 | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 90.73 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 105.1146000000001 | RDKit |
