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(±)-Brompheniramine Maleate
CAS: 980-71-2 | C20H23BrN2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
980-71-2
Molecular Formula:
C20H23BrN2O4
Molecular Mass:
435.32 g/mol
Names and Synonyms:
(±)-Brompheniramine Maleate
2-Pyridinepropanamine, γ-(4-bromophenyl)-N,N-dimethyl-, (2Z)-2-butenedioate (1:1)
Pyridine, 2-[p-bromo-α-[2-(dimethylamino)ethyl]benzyl]-, maleate (1:1)
2-Pyridinepropanamine, γ-(4-bromophenyl)-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
2-[p-Bromo-α-[2-(dimethylamino)ethyl]benzyl]pyridine bimaleate
2-[p-Bromo-α-(2-dimethylaminoethyl)benzyl]pyridine maleate
Brompheniramine maleate
Dimetane maleate
Ilvin maleate
Parabromdylamine maleate
Parabromodylamine maleate
Bromopheniramine maleate
Dimotane
Dimetane
Brompheniramine hydrogen maleate
dl-Bromopheniramine maleate
(±)-Brompheniramine maleate
dl-Brompheniramine maleate
Lodrane
Veltane
Symptom 3
Nagemid
Allent
Ilvin
Identifiers:
SMILES:
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=CC(=O)O
InChI:
InChI=1S/C16H19BrN2.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-
Key Properties
Melting Point
132-134 °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 | 435.32 g/mol | CAS Common Chemistry |
| 435.3180000000001 g/mol | RDKit | |
| 434.08411931599994 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=CC(=O)O.BrC1=CC=C(C=C1)C(C2=NC=CC=C2)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H19BrN2.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=SRGKFVAASLQVBO-BTJKTKAUSA-N | CAS Common Chemistry |
| Melting Point | 132-134 °C | CAS Common Chemistry |
| Name | (±)-Brompheniramine 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 |
| LogP | 3.639500000000001 | RDKit |
| Molar Refractivity | 107.8046000000001 | RDKit |
