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Zoledronic acid-15N2,13C2

CAT: 0804-HY-W777154-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W777154-01Size:1 mg
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Description
Zoledronic acid-15N2,13C2 (CGP 42446-15N2,13C2) is the 13C- and 15N-labeled Zoledronic Acid. Zoledronic Acid (Zoledronate) is a third-generation bisphosphonate (BP), with potent anti-resorptive activity. Zoledronic Acid inhibits the differentiation and apoptosis of osteoclasts. Zoledronic Acid also has anti-cancer effects[1].
CAS Number
1189694-79-8
Product Name Alternative
CGP 42446-15N2,13C2; CGP42446A-15N2,13C2; ZOL 446-15N2,13C2
UNSPSC
12352005
Target
Apoptosis; Autophagy; Bacterial; Isotope-Labeled Compounds
Related Pathways
Anti-infection; Apoptosis; Autophagy; Others
Field of Research
Metabolic Disease
Smiles
O=P(O)([13C](O)(P(O)(O)=O)[13C]([15N]1C=[15N]C=C1)([H])[H])O
Molecular Formula
C3 13C2H10 15N2O7P2
Molecular Weight
276.06
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Zoledronic Acid-15N2,13C2
CAS Number1189694-79-8
PubChem CID45040702
IUPAC Name(1-hydroxy-2-(15N)(15N)(1,3-15N2)imidazol-1-yl-1-phosphono(1,2-13C2)ethyl)phosphonic acid
Molecular FormulaC5H10N2O7P2
Molecular Weight276.06
XLogP-4.3
Topological Polar Surface Area153
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity327
SMILES
C1=C[15N](C=[15N]1)[13CH2][13C](O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)/i3+1,5+1,6+1,7+1
InChIKey
XRASPMIURGNCCH-LAWBUZBNSA-N
Chemical Structure
2D Structure
2D structure of Zoledronic Acid-15N2,13C2
CAS: 1189694-79-8
CID: 45040702
Formula: C5H10N2O7P2
MW: 276.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.06
XLogP3-4.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass275.99710412
Monoisotopic Mass275.99710412
Topological Polar Surface Area153 Ų
Heavy Atom Count16
Formal Charge0
Complexity327
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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