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SR-717

CAT: 0607-B8463-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B8463-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2375421-09-1
Product Name Alternative
lithium 2-(6-(1H-imidazol-1-yl)pyridazine-3-carboxamido)-4,5-difluorobenzoate
Purity
0.9937
Solubility
≥4.87 mg/mL in DMSO with gentle warming; insoluble in H2O; insoluble in EtOH
Smiles
O=C(C1=CC(F)=C(C=C1NC(C2=NN=C(N3C=NC=C3)C=C2)=O)F)O[Li]
Molecular Formula
C15H8F2LiN5O3
Molecular Weight
351.19
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

SR-717 lithium
CAS Number2375421-09-1
PubChem CID139434658
IUPAC Namelithium 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
Molecular FormulaC15H8F2LiN5O3
Molecular Weight351.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity518
SMILES
[Li+].C1=CC(=NN=C1C(=O)NC2=CC(=C(C=C2C(=O)[O-])F)F)N3C=CN=C3
InChI
InChI=1S/C15H9F2N5O3.Li/c16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22;/h1-7H,(H,19,23)(H,24,25);/q;+1/p-1
InChIKey
ODSAJRWPLSVEHJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of SR-717 lithium
CAS: 2375421-09-1
CID: 139434658
Formula: C15H8F2LiN5O3
MW: 351.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass351.07552389
Monoisotopic Mass351.07552389
Topological Polar Surface Area113 Ų
Heavy Atom Count26
Formal Charge0
Complexity518
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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HY-131454-01SR-717
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