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Molecule
(±)-Brompheniramine Maleate
CAS: 980-71-2 · C20H23BrN2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 980-71-2
- Molecular Formula
- C20H23BrN2O4
- Molecular Mass
- 435.32 g/mol
Identifiers
CAS Registry Number
980-71-2
SMILES
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=CC(=O)O
InChI Key
SRGKFVAASLQVBO-BTJKTKAUSA-N
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-
Names and Synonyms
- (±)-Brompheniramine Maleate Common Name
- 2-Pyridinepropanamine, γ-(4-bromophenyl)-N,N-dimethyl-, (2Z)-2-butenedioate (1:1) Synonym
- Pyridine, 2-[p-bromo-α-[2-(dimethylamino)ethyl]benzyl]-, maleate (1:1) Synonym
- 2-Pyridinepropanamine, γ-(4-bromophenyl)-N,N-dimethyl-, (Z)-2-butenedioate (1:1) Synonym
- 2-[p-Bromo-α-[2-(dimethylamino)ethyl]benzyl]pyridine bimaleate Synonym
- 2-[p-Bromo-α-(2-dimethylaminoethyl)benzyl]pyridine maleate Synonym
- Brompheniramine maleate Synonym
- Dimetane maleate Synonym
- Ilvin maleate Synonym
- Parabromdylamine maleate Synonym
- Parabromodylamine maleate Synonym
- Bromopheniramine maleate Synonym
- Dimotane Synonym
- Dimetane Synonym
- Brompheniramine hydrogen maleate Synonym
- dl-Bromopheniramine maleate Synonym
- (±)-Brompheniramine maleate Synonym
- dl-Brompheniramine maleate Synonym
- Lodrane Synonym
- Veltane Synonym
- Symptom 3 Synonym
- Nagemid Synonym
- Allent Synonym
- Ilvin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 435.32 g/mol | CAS Common Chemistry |
| 435.3180000000001 g/mol | RDKit | |
| 435.318 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 |
| 89.97 Ų | chempirical lib | |
| LogP | 3.639500000000001 | RDKit |
| 3.6395 | RDKit | |
| 3.64 | chempirical lib | |
| Molar Refractivity | 107.8046000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 434.08411931599994 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 |
|---|
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 = 435.32 g/mol. Edit any field — others recompute live.
