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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C5H7NO4.Ca.2H.4H2O
Molecular Weight 404.382
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM DIGLUTAMATE TETRAHYDRATE

SMILES

[H+].[H+].O.O.O.O.[Ca++].N[C@@H](CCC([O-])=O)C([O-])=O.N[C@@H](CCC([O-])=O)C([O-])=O

InChI

InChIKey=JEMRUFTULHBMAJ-GYDBBPQESA-L
InChI=1S/2C5H9NO4.Ca.4H2O/c2*6-3(5(9)10)1-2-4(7)8;;;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;;+2;;;;/p-2/t2*3-;;;;;/m00...../s1

HIDE SMILES / InChI

Molecular Formula C5H7NO4
Molecular Weight 145.1134
Charge -2
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
MOL RATIO 4 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Anhydrous dibasic calcium phosphate is a calcium salt of phosphoric acid. It is used as a diluent in pharmaceutical industry, in some toothpastes as a polishing agent. Calcium phosphate is generally recognized as safe by FDA. Dibasic calcium phosphate is ised as a supplement to treat conditions associated with calcium deficit, such as bone loss (osteoporosis), weak bones (osteomalacia/rickets), decreased activity of the parathyroid gland (hypoparathyroidism), and a certain muscle disease (latent tetany)

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Palliative
Unknown
Palliative
Unknown
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
oral: 500 to 2000 mg elemental calcium a day, in divided doses (bid-qid). inhalation: In a single-blind, phase 1B proof of concept study, 24 subjects were enrolled to sequentially receive three doses of PUR118 (calcium lactate inhalation powder (CLIP) formulation) (5.5 mg, n = 18; 11.0 mg, n = 18; 2.8 mg, n = 16). Each dose was inhaled 3 times (1, 13, 25 h, preceded by 2 puffs salbutamol) before the ozone exposure (250 ppb, 3 h intermittent exercise). Sputum was induced 3 h after the end of exposure.
Route of Administration: Other
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
IPW75840KB
Record Status Validated (UNII)
Record Version