Back to Search
Molecule
Terazosin Hydrochloride
CAS: 63074-08-8 · C19H26ClN5O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 63074-08-8
- Molecular Formula
- C19H26ClN5O4
- Molecular Mass
- 423.90 g/mol
Identifiers
CAS Registry Number
63074-08-8
SMILES
COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)[nH]c(=N)c2cc1OC.Cl
InChI Key
IWSWDOUXSCRCKW-UHFFFAOYSA-N
InChI
InChI=1S/C19H25N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H
Names and Synonyms
- Terazosin Hydrochloride Common Name
- Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](tetrahydro-2-furanyl)-, hydrochloride (1:1) Synonym
- Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(tetrahydro-2-furanyl)carbonyl]-, monohydrochloride Synonym
- 2-[4-(Tetrahydro-2-furoyl)-piperazine]-4-amino-6,7-dimethoxyquinazoline-hydrochloride Synonym
- Terazosin hydrochloride Synonym
- Hytrin Synonym
- Vasocard Synonym
- Abbott 45975 Synonym
- 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tetrahydro-2-furoyl)piperazine monohydrochloride Synonym
- Terasin Synonym
- Hytracin Synonym
- Olyster Synonym
- Dysalfa Synonym
- Tructum Synonym
- Heitrin Synonym
- Vicard Synonym
- Hytrine Synonym
- Hytrinex Synonym
- Itrin Synonym
- Teralfa Synonym
- Vasomet Synonym
- Flotrin Synonym
- Hitrin Synonym
- Rotiaz Synonym
- Flumarc Synonym
- Terazin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 423.90 g/mol | CAS Common Chemistry |
| 423.9010000000001 g/mol | RDKit | |
| 423.901 g/mol | RDKit | |
| 423.898 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(N1CCN(C=2N=C(N)C=3C=C(OC)C(OC)=CC3N2)CC1)C4OCCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C19H25N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H | CAS Common Chemistry |
| InChI Key | InChIKey=IWSWDOUXSCRCKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Terazosin hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 103.77 Ų | RDKit |
| LogP | 1.3089699999999995 | RDKit |
| 1.309 | RDKit | |
| Molar Refractivity | 110.06740000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5263 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 423.167331992 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 423.90 g/mol. Edit any field — others recompute live.
