1. Primary Information
| English name: | Fasudil hydrochloride |
| CAS No.: | 105628-07-7 |
| Molecular formula: | C14H18ClN3O2S |
| Molecular weight: | 327.8 g/mol |
| SMILES: | C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl |
| Structural class: | |
| Other identifiers: |
1-(5-isoquinolinesulfonyl)homopiperazine AT 877 AT-877 AT877 fasudil |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥99% | 160 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 57 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 172 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 640 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochloride
4.2 InChI
InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H
4.3 InChIKey
LFVPBERIVUNMGV-UHFFFAOYSA-N
4.4 Canonical SMILES
C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
