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Ripasudil

CAT: 1299-RM-R486001-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R486001-04Size:100 mg
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CAS Number
223645-67-8
Synonyms
(S) -4-fluoro-5- ((2-methyl-1,4-diazepan-1-yl) sulfonyl) isoquinoline
Molecular Formula
C15H18FN3O2S
Molecular Weight
323.39
Target Alternative Name
Ripasudil
Product Name Synonym
(S) -4-fluoro-5- ((2-methyl-1,4-diazepan-1-yl) sulfonyl) isoquinoline

Chemical Information

Ripasudil

Ripasudil is a member of isoquinolines.

CAS Number223645-67-8
PubChem CID9863672
IUPAC Name4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
Molecular FormulaC15H18FN3O2S
Molecular Weight323.4
XLogP1.5
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity482
SMILES
C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F
InChI
InChI=1S/C15H18FN3O2S/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/t11-/m0/s1
InChIKey
QSKQVZWVLOIIEV-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Ripasudil
CAS: 223645-67-8
CID: 9863672
Formula: C15H18FN3O2S
MW: 323.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass323.11037616
Monoisotopic Mass323.11037616
Topological Polar Surface Area70.7 Ų
Heavy Atom Count22
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AR-R11004-01Ripasudil
TRC-R517900-10MGRipasudil Hydrochloride
HY-15685R-01Ripasudil (Standard)
A15888-25Ripasudil 25mg
A15888-5Ripasudil 5mg
A15888-50Ripasudil 50mg
A15888-100Ripasudil 100mg
A15888-10Ripasudil 10mg
T7492-01Ripasudil free base
464727-01Ripasudil Monohydrochloride Dihydrate

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