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Molecule
(-)-Galantamine
CAS: 357-70-0 · C17H21NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 357-70-0
- Molecular Formula
- C17H21NO3
- Molecular Mass
- 287.36 g/mol
Identifiers
CAS Registry Number
357-70-0
SMILES
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
InChI Key
ASUTZQLVASHGKV-JDFRZJQESA-N
InChI
InChI=1S/C17H21NO3/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/t12-,14-,17-/m0/s1
Names and Synonyms
- (-)-Galantamine Common Name
- 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,6R,8aS)- Synonym
- Galanthamine Synonym
- 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl- Synonym
- (4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol Synonym
- Galantamine Synonym
- Lycoremine Synonym
- Jilkon Synonym
- Galantamin Synonym
- Lycoremin Synonym
- 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, [4aS-(4aα,6β,8aR*)]- Synonym
- (-)-Galanthamine Synonym
- NSC 100058 Synonym
- Galantamina Synonym
- BRN 0093736 Synonym
- (-)-Galantamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 287.36 g/mol | CAS Common Chemistry |
| 287.35900000000004 g/mol | RDKit | |
| 287.359 g/mol | RDKit | |
| Canonical SMILES | OC1C=CC23C4=C(OC2C1)C(OC)=CC=C4CN(C)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H21NO3/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/t12-,14-,17-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ASUTZQLVASHGKV-JDFRZJQESA-N | CAS Common Chemistry |
| Melting Point | 126-127 °C | CAS Common Chemistry |
| Name | (-)-Galantamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | 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 | 1.8503 | RDKit |
| Molar Refractivity | 79.80280000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5294 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 287.152143532 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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| 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 = 287.36 g/mol. Edit any field — others recompute live.
