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Molecule
Galantamine Hydrobromide
CAS: 1953-04-4 · C17H22BrNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1953-04-4
- Molecular Formula
- C17H22BrNO3
- Molecular Mass
- 368.27 g/mol
Identifiers
CAS Registry Number
1953-04-4
SMILES
Br.COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
InChI Key
QORVDGQLPPAFRS-XPSHAMGMSA-N
InChI
InChI=1S/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1
Names and Synonyms
- Galantamine Hydrobromide Common Name
- 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, hydrobromide (1:1), (4aS,6R,8aS)- Synonym
- Galanthamine, hydrobromide Synonym
- 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, hydrobromide, (4aS,6R,8aS)- Synonym
- Galantamine hydrobromide Synonym
- Nivalin Synonym
- Nivaline Synonym
- Galanthamine hydrogen bromide Synonym
- Nivaline (pharmaceutical) Synonym
- (-)-Galanthamine hydrobromide Synonym
- Reminyl Synonym
- Jilkon hydrobromide Synonym
- Lycoremine hydrobromide Synonym
- (-)-Galantamine hydrobromide Synonym
- Razadyne Synonym
- Tamilin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.27 g/mol | CAS Common Chemistry |
| 368.2710000000002 g/mol | RDKit | |
| 368.271 g/mol | RDKit | |
| Canonical SMILES | Br.OC1C=CC23C4=C(OC2C1)C(OC)=CC=C4CN(C)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QORVDGQLPPAFRS-XPSHAMGMSA-N | CAS Common Chemistry |
| Melting Point | 255-256 °C @ Solvent: Ethanol, 85% | CAS Common Chemistry |
| Name | Galantamine hydrobromide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.93 Ų | RDKit |
| 41.7 Ų | chempirical lib | |
| LogP | 2.4282000000000004 | RDKit |
| 2.4282 | RDKit | |
| Molar Refractivity | 90.12480000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5294 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 367.078305664 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| 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 = 368.27 g/mol. Edit any field — others recompute live.
