Basic information
- CAS
105628-07-7- Standard SMILES
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1.[Cl-].[H+]- InChIKey
LFVPBERIVUNMGV-UHFFFAOYSA-N- Molecular formula
- C14H18ClN3O2S
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.0808257
Overview
See also: Fasudil Hydrochloride (preferred).
Names & identifiers
- Preferred name
- 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-,monohydrochloride
- IUPAC
- 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydron;chloride
- English name
- Fasudil hydrochloride
- Molecular formula
- C14H18ClN3O2S
- Molecular weight
- 327.83
Names & synonyms
1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-,monohydrochlorideSCHEMBL678615AKOS026750641FASUDIL HCLCS-520HA-1077FASUDELCS-1572Fasudil-HAHA-1077 HClCAS:105628-07-7FASUDIL, MONOHCL
Show more names
Fasudil (HA-1077)
Database identifiers
- CAS
105628-07-7- PubChem CID
- 657249
Properties
Computed structural properties
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 220.5 °; · 220.5°; mp 219.3° (Shirotani)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- 2 O: · H2O: >200 mg/mL
- form
- solid
- color
- white
- Water Solubility
- Soluble in water and dimethyl sulfoxide. Insoluble in ethanol.
- Merck
- 14 · 14,3942
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20° for up to 1 month.
- InChI
- InChI=1S/C14H17N3O2S.2ClH/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;2*1H
- InChIKey
- LFVPBERIVUNMGV-UHFFFAOYSA-N
- SMILES
- N1(S(C2=CC=CC3=C2C=CN=C3)(=O)=O)CCCNCC1.[H]Cl.[H]Cl
- CAS DataBase Reference
- 105628 · 105628-07-7(CAS DataBase Reference)
- FDA UNII
- 4 N8S7BR · SQ04N8S7BR
- UNSPSC Code
- 12352200 · 12352200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- HM4031166
- hs_code
- 29339900
- Toxicity
- LD50 in mice, rats (mg/kg): 67.5, 59.9 i.v.; 124.5, 123.2 s.c.; 273.9, 335.0 orally (Koga)
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36-60
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312+P330-P501-P301+P312a-P330-P501a
Chemistry & industry
Applications
DescriptionFasudil hydrochloride, a novel calcium antagonistic vasodilator, was marketed for the treatment of cerebral vasospasm following subarachnoid hemorrhage (SAH). Fasudil is also a potent inhibitor of myosin light chain kinase and protein kinase C. In contrast to other calcium channel blockers, which regulate the influx of calcium ions through the cell membrane but not involved in the intracellular regulatory mechanism of the calcium, fasudil was suggested to have an intracellular mode of action in relaxing vascular smooth muscle. In patients with neurological deficits due to vasospasm, fasudil decreased the occurrence of angiographic severe and symptomatic vasospasm and cerebral infarction without decreasing systemic blood pressure. Fasudil is reportedly in clinical trials for acute ischemic stroke, sequelae of cerebral vascular diseases and angina pectoris.
UsesFasudil monohydrochloride is used in the prevention and treating cardiovascular and cerebrovascular diseases. It is also used in the inhibition of proliferation of vascular smooth muscle cells. It serves as a selective Rho-associated protein kinase (ROCK) inhibitor. Further, it protects against methyl mercury-induced axonal degeneration.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
0 records
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Compound notes
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