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
KEGG Drug
D10463
ChemSpider
9800133
Predicted Properties
PropertyValueSource
Water Solubility0.3 mg/mLALOGPS
logP0.72ALOGPS
logP0.88Chemaxon
logS-3ALOGPS
pKa (Strongest Basic)8.2Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area62.3 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity82.56 m3·mol-1Chemaxon
Polarizability32.15 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon