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Verosudil

CAT: 0498-bs-6847C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6847C-01Size:2 mg
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CAS Number
1414854-42-4
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO, not in water
Smiles
CN(C)C(C1=CSC=C1)C(=O)NC1C=C2C=CNC(=O)C2=CC=1
Molecular Formula
C17 H17 N3 O2 S
Molecular Weight
327.4
InChI
InChI=1S/C17H17N3O2S/c1-20 (2) 15 (12-6-8-23-10-12) 17 (22) 19-13-3-4-14-11 (9-13) 5-7-18-16 (14) 21/h3-10,15H,1-2H3, (H,18,21) (H,19,22)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Verosudil

a Rho kinase inhibitor

CAS Number1414854-42-4
PubChem CID66906051
IUPAC Name2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-2-thiophen-3-ylacetamide
Molecular FormulaC17H17N3O2S
Molecular Weight327.4
XLogP2
Topological Polar Surface Area89.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity494
SMILES
CN(C)C(C1=CSC=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC=C3
InChI
InChI=1S/C17H17N3O2S/c1-20(2)15(12-6-8-23-10-12)17(22)19-13-3-4-14-11(9-13)5-7-18-16(14)21/h3-10,15H,1-2H3,(H,18,21)(H,19,22)
InChIKey
VDYRZXYYQMMFJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Verosudil
CAS: 1414854-42-4
CID: 66906051
Formula: C17H17N3O2S
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass327.10414797
Monoisotopic Mass327.10414797
Topological Polar Surface Area89.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4488-5.1Verosudil
T70735-01Verosudil hydrochloride
HY-16758AVerosudil (hydrochloride)

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