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S186

CAT: 0804-HY-13950-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13950-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S186 is a new type of strontium-specific chelator.
CAS Number
97759-16-5
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/s186.html
Purity
99.01
Solubility
DMSO : < 1 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : 25 mg/mL (ultrasonic)
Smiles
O=C(C)NC(CC)(P([O-])([O-])=O)P(O)(O[Na])=O.[Ca+2]
Molecular Formula
C5H10CaNNaO7P2
Molecular Weight
321.15
References & Citations
[1]Weihai Zhuo, et al. A Brief Review of Researches Related to Radiation Emergency Medicine at Fundan University, China. Radiation Emergency Medicine. 2012 Vol.1 No.1-2 7-10.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 127255645
CAS Number97759-16-5
PubChem CID127255645
Molecular FormulaC5H13CaNNaO7P2
Molecular Weight324.17
Topological Polar Surface Area144
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity319
SMILES
CCC(NC(=O)C)(P(=O)(O)O)P(=O)(O)O.[Na].[Ca]
InChI
InChI=1S/C5H13NO7P2.Ca.Na/c1-3-5(6-4(2)7,14(8,9)10)15(11,12)13;;/h3H2,1-2H3,(H,6,7)(H2,8,9,10)(H2,11,12,13);;
InChIKey
WPTHTLCSASTWJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 127255645
CAS: 97759-16-5
CID: 127255645
Formula: C5H13CaNNaO7P2
MW: 324.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight324.17
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass323.9690859
Monoisotopic Mass323.9690859
Topological Polar Surface Area144 Ų
Heavy Atom Count17
Formal Charge0
Complexity319
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