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Tizanidine Hydrochloride
CAS: 64461-82-1 | C9H9Cl2N5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64461-82-1
Molecular Formula:
C9H9Cl2N5S
Molecular Mass:
290.18 g/mol
Names and Synonyms:
Tizanidine Hydrochloride
2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-, hydrochloride (1:1)
2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-, monohydrochloride
5-Chloro-4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole hydrochloride
Sirdalud
Tizanidine hydrochloride
Zanaflex
AB 021
DS 103-282
Ternelin
AN 021
Tizan
Tizpa
Identifiers:
SMILES:
Cl.Clc1ccc2nsnc2c1NC1=NCCN1
InChI:
InChI=1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);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 | 290.18 g/mol | CAS Common Chemistry |
| 290.1790000000001 g/mol | RDKit | |
| 288.99557164800007 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC=1C=CC2=NSN=C2C1NC3=NCCN3 | CAS Common Chemistry |
| InChI | InChI=1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZWUKMNZJRDGCTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tizanidine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 62.2 Ų | RDKit |
| LogP | 2.1376 | RDKit |
| Molar Refractivity | 73.60040000000001 | RDKit |
