Ripasudil hydrochloride dihydrateProduct ingredient for Ripasudil
- Name
- Ripasudil hydrochloride dihydrate
- Drug Entry
- Ripasudil
Ripasudil, as hydrochloride hydrate (K-115), is a specifc Rho-associated coiled-coil containing protein kinase (ROCK) inhibitor used for the treatment of glaucoma and ocular hypertension. It was first approved for treatment in Japan in September 2014. This medication is available in the form of a 0.4% eye drop solution under the brand name Glanatec. Ripasudil is a well tolerated medication that is used when other drugs have been proven to be non-effective or cannot be administered.
- Accession Number
- DBSALT002191
- Structure
- Synonyms
- Ripasudil hydrochloride hydrate
- UNII
- 016TTR32QF
- CAS Number
- 887375-67-9
- Weight
- Average: 395.87
Monoisotopic: 395.1081833 - Chemical Formula
- C15H23ClFN3O4S
- InChI Key
- CMDJNMACGABCKQ-XVSRHIFFSA-N
- InChI
- InChI=1S/C15H18FN3O2S.ClH.2H2O/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14;;;/h2,4-5,9-11,17H,3,6-8H2,1H3;1H;2*1H2/t11-;;;/m0.../s1
- IUPAC Name
- 4-fluoro-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline dihydrate hydrochloride
- SMILES
- O.O.Cl.C[C@H]1CNCCCN1S(=O)(=O)C1=C2C(F)=CN=CC2=CC=C1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.3 mg/mL ALOGPS logP 0.72 ALOGPS logP 0.88 Chemaxon logS -3 ALOGPS pKa (Strongest Basic) 8.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 62.3 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 82.56 m3·mol-1 Chemaxon Polarizability 32.15 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon