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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
Names and Synonyms:
Terazosin Hydrochloride
Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](tetrahydro-2-furanyl)-, hydrochloride (1:1)
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(tetrahydro-2-furanyl)carbonyl]-, monohydrochloride
2-[4-(Tetrahydro-2-furoyl)-piperazine]-4-amino-6,7-dimethoxyquinazoline-hydrochloride
Terazosin hydrochloride
Hytrin
Vasocard
Abbott 45975
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tetrahydro-2-furoyl)piperazine monohydrochloride
Terasin
Hytracin
Olyster
Dysalfa
Tructum
Heitrin
Vicard
Hytrine
Hytrinex
Itrin
Teralfa
Vasomet
Flotrin
Hitrin
Rotiaz
Flumarc
Terazin
Identifiers:
SMILES:
COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)[nH]c(=N)c2cc1OC.Cl
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
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 | 423.90 g/mol | CAS Common Chemistry |
| 423.9010000000001 g/mol | RDKit | |
| 423.167331992 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 110.06740000000002 | RDKit |
