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Selonsertib Hydrochloride

CAT: 0862-GW0805-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0862-GW0805-10mgSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1448428-05-4
Storage Conditions
+4°C
Hazardous Class
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Chemical Information

Selonsertib hydrochloride
CAS Number1448428-05-4
PubChem CID71654746
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;hydrochloride
Molecular FormulaC24H25ClFN7O
Molecular Weight482.0
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity692
SMILES
CC1=CC(=C(C=C1N2C=C(N=C2)C3CC3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C(C)C)F.Cl
InChI
InChI=1S/C24H24FN7O.ClH/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16;/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33);1H
InChIKey
DQKKBHINKKMQHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Selonsertib hydrochloride
CAS: 1448428-05-4
CID: 71654746
Formula: C24H25ClFN7O
MW: 482.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass481.1793143
Monoisotopic Mass481.1793143
Topological Polar Surface Area90.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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