Butedronic acid

Base Information

• Chemical Name: Butedronic acid
• CAS No.: 51395-42-7
• Molecular Formula: C5H10 O10 P2
• Molecular Weight: 292.07
• European Community (EC) Number: 403-070-4
• UNII: 26PB1U68YF
• DSSTox Substance ID: DTXSID30866196
• Nikkaji Number: J952.307C
• Wikidata: Q27254117
• NCI Thesaurus Code: C72092
• ChEMBL ID: CHEMBL2106599
• Mol file: 51395-42-7.mol

Synonyms:Butedronic acid;51395-42-7;2-(diphosphonomethyl)butanedioic acid;Butedronic acid [INN];UNII-26PB1U68YF;Butedronate;(Diphosphonomethyl)succinic acid;26PB1U68YF;2-(Diphosphonomethyl)succinic acid;Butedronicacid;BUTEDRONIC ACID [MI];SCHEMBL645294;CHEMBL2106599;(+/-)-BUTEDRONIC ACID;diphosphonomethyl-butanedioic acid;(Diphosphonomethyl)succinic acid.;DTXSID30866196;CHEBI:135216;(Diphosphonomethyl)butanedioic acid;C5H10O10P2;BUTEDRONIC ACID, (+/-)-;MFCD09837954;AKOS040767433;C5-H10-O10-P2;2-(Diphosphono-methyl)butanedioic acid;3,3-diphosphono-1,2-propanedicarboxylic acid;Q27254117;3,3-DIPHOSPHONO-1,2-PROPANEDICARBONIC ACID [WHO-DD]

Chemical Property of Butedronic acid

Chemical Property:

• Vapor Pressure: 1.55E-21mmHg at 25°C
• Melting Point: 149.5 °C
• Boiling Point: 701.4°Cat760mmHg
• PKA: 0.38±0.10(Predicted)
• Flash Point: 378°C
• PSA: 209.28000
• Density: 2.095g/cm³
• LogP: -1.15660
• XLogP3: -4.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 291.97492051
• Heavy Atom Count: 17
• Complexity: 381

Purity/Quality:

99.9% ^*data from raw suppliers

BUTEDRONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-43
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(P(=O)(O)O)P(=O)(O)O)C(=O)O)C(=O)O
• Therapeutic Function: Diagnostic aid