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SU 4029 dihydrochloride

CAT: 0013-GTR19222773-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222773-01Size:100 mg
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Description
SU 4029 dihydrochloride is a cell-permeable, ATP-competitive inhibitor of Src family kinases. It is a valuable research tool for investigating kinase signaling pathways in both cellular (in vitro) and animal (in vivo) models of cancer and other diseases.
CAS Number
3194-36-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
N=C (CCN1CCCCCC1) NO.Cl.Cl
Molecular Formula
C9H21Cl2N3O
Molecular Weight
258.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Azepan-1-yl)-N-hydroxypropanimidamide--hydrogen chloride (1/2)
CAS Number3194-36-3
PubChem CID135541162
IUPAC Name(Z)-[1-amino-3-(azepan-1-ium-1-yl)propylidene]-hydroxyazanium dichloride
Molecular FormulaC9H21Cl2N3O
Molecular Weight258.19
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity162
SMILES
C1CCC[NH+](CC1)CC/C(=[NH+]/O)/N.[Cl-].[Cl-]
InChI
InChI=1S/C9H19N3O.2ClH/c10-9(11-13)5-8-12-6-3-1-2-4-7-12;;/h13H,1-8H2,(H2,10,11);2*1H
InChIKey
KBDUAOSAXOGJIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Azepan-1-yl)-N-hydroxypropanimidamide--hydrogen chloride (1/2)
CAS: 3194-36-3
CID: 135541162
Formula: C9H21Cl2N3O
MW: 258.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.19
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass257.1061677
Monoisotopic Mass257.1061677
Topological Polar Surface Area64.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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