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Alfuzosin Hydrochloride
CAS: 81403-68-1 | C19H28ClN5O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81403-68-1
Molecular Formula:
C19H28ClN5O4
Molecular Mass:
425.92 g/mol
Names and Synonyms:
Alfuzosin Hydrochloride
2-Furancarboxamide, N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-, hydrochloride (1:1)
2-Furancarboxamide, N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-, monohydrochloride
Alfuzosin hydrochloride
Xatral
Urion
SL 77499-10
Alfoten
SL 77-499-10
Uroxatral
Identifiers:
SMILES:
COc1cc2nc(N(C)CCCN=C(O)C3CCCO3)[nH]c(=N)c2cc1OC.Cl
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
Key Properties
Melting Point
225 °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 | 425.92 g/mol | CAS Common Chemistry |
| 425.9170000000001 g/mol | RDKit | |
| 425.182982056 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 114.09220000000003 | RDKit |
