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(4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium

HCID 64776
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Basic information

CAS
97635-31-9
Standard SMILES
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[Ca+2]
InChIKey
YPCRNBPOUVJVMU-LCGAVOCYSA-L
Molecular formula
C18H32CaO19
Average molar mass
592.5 g/mol
Monoisotopic mass
592.1163696

Overview

Calcium glubionate (or glubionate calcium) is a mineral supplement to prevent or treat low blood calcium levels in people who do not get enough calcium from their diets.

Names & identifiers

Preferred name
(4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium
IUPAC
calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate

Names & synonyms

97635-31-9UNII-93H20IU3DN(4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calciumEINECS 307-393-0EBC-27362DB13142calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoateCalcium, (4-O-beta-D-galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)-

Database identifiers

CAS
97635-31-9
PubChem CID
64776
EC Number
307-393-0

Properties

Computed structural properties

Topological polar surface area
362 Ų
Hydrogen bond donors
13
Hydrogen bond acceptors
19
Rotatable bonds
15
Heavy atoms
38
Formal charge
0
Complexity
686

Chemistry & industry

Pharmacology

Protein Binding~40%, primarily to albumin
Mechanism of Action · 1 item

Essential for nervous, muscular, and skeletal systems. Maintain cell membrane and capillary permeability. Act as an activator in the transmission of nerve impulses and contraction of cardiac, skeletal, and smooth muscle. Essential for bone formation and blood coagulation.

Absorption, Distribution and Excretion · 3 items

Minimal unless chronic, high doses; absorption predominantly in the duodenum and dependent on calcitriol and vitamin D; mean absorption of calcium intake varies with age (infants 60%, prepubertal children 28%, pubertal children 34%, adults 25%); during pregnancy, calcium absorption doubles; calcium is absorbed in soluble, ionized form; solubility of calcium is increased in an acid environment (IOM 2011); decreased absorption occurs in patients with achlorhydria, renal osteodystrophy, steatorrhea, or uremia

Primarily feces (75%; as unabsorbed calcium); urine (22%)

Primarily in bones, teeth

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Compound notes

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