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H-9 dihydrochloride

CAT: 0607-B5001-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5001-10Size:10 mg
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Description
Protein kinase inhibitor
CAS Number
116700-36-8
Product Name Alternative
N-(2-aminoethyl)isoquinoline-5-sulfonamide dihydrochloride
Field of Research
Tyrosine Kinase Broad Spectrum Protein Kinase Inhibitor
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=S(NCCN)(C1=CC=CC2=C1C=CN=C2)=O.Cl.Cl
Molecular Formula
C11H13N3O2S·2HCl
Molecular Weight
324.22
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

H-9 dihydrochloride
CAS Number116700-36-8
PubChem CID11957465
IUPAC NameN-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride
Molecular FormulaC11H15Cl2N3O2S
Molecular Weight324.2
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity339
SMILES
C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN.Cl.Cl
InChI
InChI=1S/C11H13N3O2S.2ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;;/h1-4,6,8,14H,5,7,12H2;2*1H
InChIKey
HBLCYSFLYMHCBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of H-9 dihydrochloride
CAS: 116700-36-8
CID: 11957465
Formula: C11H15Cl2N3O2S
MW: 324.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass323.0262033
Monoisotopic Mass323.0262033
Topological Polar Surface Area93.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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