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Ripasudil hydrochloride dihydrate

CAT: 1568-C13108-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C13108-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
887375-67-9
Synonyms
K-115 hydrochloride dihydrate
Target
ROCK
Applications
Cytoskeletal Signaling
Smiles
CC1CNCCCN1S (=O) (=O) C2=CC=CC3=CN=CC (=C32) F.O.O.Cl
Molecular Formula
C15H18FN3O2S.Cl H.2 H2 O
Additionnal Information
Ripasudil hydrochloride dihydrate is a potent ROCK inhibitor with IC50 of 51 nM and 19 nM for ROCK1 and ROCK2, respectively, used for the treatment of glaucoma and ocular hypertension.
Storage Conditions
2 years -80 in solvent

Chemical Information

Ripasudil Hydrochloride
CAS Number887375-67-9
PubChem CID11625386
IUPAC Name4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;dihydrate;hydrochloride
Molecular FormulaC15H23ClFN3O4S
Molecular Weight395.9
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity482
SMILES
C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F.O.O.Cl
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
InChIKey
CMDJNMACGABCKQ-XVSRHIFFSA-N
Chemical Structure
2D Structure
2D structure of Ripasudil Hydrochloride
CAS: 887375-67-9
CID: 11625386
Formula: C15H23ClFN3O4S
MW: 395.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass395.1081833
Monoisotopic Mass395.1081833
Topological Polar Surface Area72.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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