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Magnesium dicitrate hydrate

CAT: 0286-M00260-02Size: 5K gDry Ice: NoHazardous: No
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CAT#:0286-M00260-02Size:5K g
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CAS Number
3344-18-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00036422
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Trimagnesium dicitrate

Trimagnesium dicitrate is a magnesium salt composed of magnesium and citrate ions in a 3:2 ratio. It has a role as a laxative. It contains a citrate(3-).

CAS Number3344-18-1
PubChem CID6099959
IUPAC Nametrimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate)
Molecular FormulaC12H10Mg3O14
Molecular Weight451.12
Topological Polar Surface Area281
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity211
SMILES
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]
InChI
InChI=1S/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
InChIKey
PLSARIKBYIPYPF-UHFFFAOYSA-H
Chemical Structure
2D Structure
2D structure of Trimagnesium dicitrate
CAS: 3344-18-1
CID: 6099959
Formula: C12H10Mg3O14
MW: 451.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass449.9621801
Monoisotopic Mass449.9621801
Topological Polar Surface Area281 Ų
Heavy Atom Count29
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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