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Molecule
Alfuzosin Hydrochloride
CAS: 81403-68-1 · C19H28ClN5O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 81403-68-1
- Molecular Formula
- C19H28ClN5O4
- Molecular Mass
- 425.92 g/mol
Identifiers
CAS Registry Number
81403-68-1
SMILES
COc1cc2nc(N(C)CCCN=C(O)C3CCCO3)[nH]c(=N)c2cc1OC.Cl
InChI Key
YTNKWDJILNVLGX-UHFFFAOYSA-N
InChI
InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H
Names and Synonyms
- Alfuzosin Hydrochloride Synonym
- 2-Furancarboxamide, N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-, hydrochloride (1:1) Synonym
- 2-Furancarboxamide, N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-, monohydrochloride Synonym
- Alfuzosin hydrochloride Synonym
- Xatral Synonym
- Urion Synonym
- SL 77499-10 Synonym
- Alfoten Synonym
- SL 77-499-10 Synonym
- Uroxatral Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 425.92 g/mol | CAS Common Chemistry |
| 425.9170000000001 g/mol | RDKit | |
| 425.917 g/mol | RDKit | |
| 425.914 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(NCCCN(C=1N=C(N)C=2C=C(OC)C(OC)=CC2N1)C)C3OCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H | CAS Common Chemistry |
| InChI Key | InChIKey=YTNKWDJILNVLGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225 °C | CAS Common Chemistry |
| Name | Alfuzosin hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 116.05 Ų | RDKit |
| LogP | 2.4431700000000007 | RDKit |
| 2.4432 | RDKit | |
| Molar Refractivity | 114.09220000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5263 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 425.182982056 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 425.92 g/mol. Edit any field — others recompute live.
