Basic information
- CAS
27905-02-8- Standard SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ga+3]- InChIKey
YEEGWNXDUZONAA-UHFFFAOYSA-K- Molecular formula
- C6H5GaO7
- Average molar mass
- 258.82 g/mol
- Monoisotopic mass
- 257.9291
Names & identifiers
- Preferred name
- Gallium citrate
- IUPAC
- gallium 2-hydroxypropane-1,2,3-tricarboxylate
- English name
- GALLIUM CITRATE
- Molecular formula
- C6H5GaO7
- Molecular weight
- 0
Names & synonyms
Gallium citrateCITRIC ACID, GALLIUM SALT (1:1)Citric acid, gallium(II) saltHT6C49L0ZPNSC-150112-Hydroxy-1,2,3-propanetricarboxylic acid gallium salt (1:1)Ga-67 citrategallium-67-citrategallium(67) citrateRefChem:142189gallium citrate, 67Ga-labeled248-721-1
Show more names
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, gallium salt
27905-02-8gallium;2-hydroxypropane-1,2,3-tricarboxylateEINECS 248-721-1NSC 15011UNII-HT6C49L0ZPSCHEMBL37799GALLIUM CITRATE [MI]YEEGWNXDUZONAA-UHFFFAOYSA-K
Database identifiers
- CAS
27905-02-8、30403-03-3- PubChem CID
- 34058
- DTXSID
DTXSID701377722- ChEMBL
CHEMBL2110553- UNII
- HT6C49L0ZP
- EC Number
- 248-721-1
- Nikkaji
- J71.258B
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
Chemical ClassesMetals -> Organic Acids, Metal Salts
Human DrugsBreast Feeding; Lactation; Milk, Human; Radiopharmaceuticals; Gallium Radioisotopes; Diagnostic Agents
Physical DescriptionSolid; [Merck Index]
Physicochemical properties
- FDA UNII
- 6 C49L0ZP · HT6C49L0ZP
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards Summary
Causes convulsions in intravenous lethal-dose studies of mammals; Causes spastic paralysis, dyspnea, and diarrhea in subcutaneous lethal-dose studies of mammals; [RTECS] CAS# 30403-03-3 is the form with unspecified stoichiometry; [Merck Index] See Gallium. See Aluminum citrate.
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161)
Uses & manufacturing
UsesThe radioactive Ga 67 labeled form (CAS# 41183-64-6) is used as an imaging agent; [Merck Index]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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