Ibandronic Acid-d3

Base Information

• Chemical Name: Ibandronic Acid-d3
• CAS No.: 1130899-41-0
• Molecular Formula: C9H23NO7P2
• Molecular Weight: 322.25
• DSSTox Substance ID: DTXSID20649399
• Wikidata: Q82562264
• Mol file: 1130899-41-0.mol

Synonyms:Ibandronic Acid-d3;1130899-41-0;Ibadronic Acid-d3;[1-hydroxy-3-[pentyl(trideuteriomethyl)amino]-1-phosphonopropyl]phosphonic acid;Ibandronate-d3;HY-B0515AS1;DTXSID20649399;[1-Hydroxy-3-[(methyl-d3)pentylamino]propylidene]bisphosphonic Acid;AKOS025310083;CS-0202837;J-002893;{1-Hydroxy-3-[(~2~H_3_)methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid)

Chemical Property of Ibandronic Acid-d3

Chemical Property:

• Storage Temp.: -20°C Freezer
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 322.11380631
• Heavy Atom Count: 19
• Complexity: 342

Purity/Quality:

97% ^*data from raw suppliers

IbandronicAcid-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
• Isomeric SMILES: [2H]C([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)O

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