Basic information
- Standard SMILES
O=P(O)(O)CP(=O)(O)O- InChIKey
MBKDYNNUVRNNRF-UHFFFAOYSA-N- Molecular formula
- CH6O6P2
- Average molar mass
- 176 g/mol
- Monoisotopic mass
- 175.96396117
Overview
Medronic acid is a 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic acid groups. It has a role as a chelator and a bone density conservation agent.
Names & identifiers
- Preferred name
- Medronic Acid
- IUPAC
- phosphonomethylphosphonic acid
- English name
- Methylenediphosphonic acid
- Molecular formula
- CH6O6P2
- Molecular weight
- 176
Names & synonyms
Methylenediphosphonic acidMEDRONIC ACID1984-15-2Phosphonic acid, methylenebis-MedronateAcido medronicoAcide medroniqueMethylenebis(phosphonic acid)methanediphosphonic acidAcidum medronicummethanebisphosphonic acidMethylene-1,1-bisphosphonic acid
Show more names
MDPmethylenediphosphonateMedronicmedronicaciMDP~MedronicacidMedronic acid CRSMedronic acid - EP
73OS0QIN3OPhosphonic acid, methylenedi-methanediylbis(phosphonic acid)DTXSID8045696DTXCID6025696CHEBI:43945RefChem:1088907217-851-0
Database identifiers
- CAS
1984-15-2- PubChem CID
- 16124
- DTXSID
DTXSID8045696- ChEMBL
CHEMBL180570- ChEBI
CHEBI:43945- UNII
- 73OS0QIN3O
- EC Number
- 217-851-0
- Nikkaji
- J7.840I
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Human DrugsBreast Feeding; Lactation; Milk, Human; Radiopharmaceuticals; Technetium Compounds; Diagnostic Agents
Physicochemical properties
- Melting point
- 197 · 197-199 °C(lit.)
- Boiling point
- 583.2 · 583.2±60.0 °C(Predicted)
- Density
- 2.111 · 2.111±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 250 mg/mL · DMSO : 250 mg/mL (1420.45 mM; Need ultrasonic)
- pka
- 1.43 · 1.43±0.10(Predicted)
- form
- Moist Crystals or Crystalline Powder
- color
- Blue
- Water Solubility
- Soluble in water.
- Merck
- 14 · 14,5792
- BRN
- 1708494 · 1708494
- InChI
- InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
- InChIKey
- MBKDYNNUVRNNRF-UHFFFAOYSA-N
- SMILES
- C(P(O)(O)=O)P(O)(O)=O
- CAS DataBase Reference
- 1984 · 1984-15-2(CAS DataBase Reference)
- FDA UNII
- 73 OS0QIN3O · 73OS0QIN3O
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 52 · NA.52
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- -
- RTECS
- 9138000 · SZ9138000
- F
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29319019 · 29319019
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Toxicity
- 50 in · LD50 in mice, rabbits (mg/kg): 45-50 i.v. (Subramanian, 1975)
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- F
- 3
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- -
- rtecs
- SZ9138000
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29319019
- Toxicity
- LD50 in mice, rabbits (mg/kg): 45-50 i.v. (Subramanian, 1975)
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesRadioactive imaging agent
UsesMethylenediphosphonic acid is a radioactive compound used for skeletal imaging. MDP has been used as a chelating agent to vary calcium levels in cell culture in a study of caffeine storage in bovine chromaffin cells.
UsesMethylenediphosphonic acid can be used as a precursor in the synthesis of:Mesoporous aluminum organophosphonate in the presence of alkyltrimethylammonium as a surfactant.Tetraester of methylenediphosphonic acids which are used as metal ion extractants for actinides in all oxidation states.
General DescriptionMDP (Methylenediphosphonic acid) is a phosphonic analog of ATP.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: A 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic acid groups.
Related reactions
1 records
Linked notes
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