Basic information
- CAS
17140-60-2- Standard SMILES
O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]- InChIKey
FATUQANACHZLRT-KMRXSBRUSA-L- Molecular formula
- C14H26CaO16
- Average molar mass
- 490.42 g/mol
- Monoisotopic mass
- 490.0846756
Overview
Calcium glucoheptonate is the calcium salt of (2)-D-gluco-heptonic acid. It is used as a calcium supplement for treatment of hypocalcaemia. It contains a (2xi)-D-gluco-heptonate.
Names & identifiers
- Preferred name
- Calcium glucoheptonate
- IUPAC
- calcium bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
- English name
- CALCIUM GLUCOHEPTONATE
- Molecular formula
- C7H16CaO8
- Molecular weight
- 268.28
Names & synonyms
CALCIUM GLUCEPTATE29039-00-7Calcium glucoheptonateCalcium glucoheptonate (1:2)Glucoheptonate de calciumCalcii glucoheptonasGlucoheptonato calcicoCalcium glucoheptonecalcium (2xi)-D-gluco-heptonateCalcium gluceptate (USP)Calcium gluceptate [USP]calcium bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
Show more names
Nsc42196Calcium glueptatecalciumheptagluconatecalciumglucoheptanoateCalcium glucoheptonoateCALCIUM GLUCEPTATE, USPCalcium glucoheptonate CRScalciumalpha-glucoheptonate
CHEBI:3314DTXSID30951637Glucoheptonic acid, calcium salt (2:1)NSC-755885L11651398Jcalcium bis[(2xi)-D-glycero-D-gulo-heptonate]calcium bis[(2xi)-D-glycero-D-ido-heptonate]calcium bis[(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate]
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 323 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
CosmeticsSkin conditioning
SolubilitySoluble
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 89.2 mg/mL · ≥ 89.2mg/mL in Water, ≥ 4.90mg/mL in DMSO with gentle warming
- form
- Solid
- color
- White to off-white
- optical activity
- 20 · [α]20/D +2±0.2°, c = 5% in H2O
- BRN
- 6104529 · 6104529
- InChI
- 1S/2C7H14O8.Ca.2H2O/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h2*2-6,8-13H,1H2,(H,14,15);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-,6-;;;/m11.../s1
- InChIKey
- JBMIEBJMNFOKBC-JRLDONDGSA-L
- SMILES
- O.O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (20 of 20) of all reports.
Not Classified
Aggregated GHS information provided per 20 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MA7980000
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Pharmacodynamics
Calcium supplements such as calcium gluceptate are taken by individuals who are unable to get enough calcium in their regular diet or who have a need for more calcium. They are used to prevent or treat several conditions that may cause hypocalcemia (not enough calcium in the blood). The body needs calcium to make strong bones. Calcium is also needed for the heart, muscles, and nervous system to work properly. The bones serve as a storage site for the body's calcium. They are continuously giving up calcium to the bloodstream and then replacing it as the body's need for calcium changes from day to day. When there is not enough calcium in the blood to be used by the heart and other organs, your body will take the needed calcium from the bones. When you eat foods rich in calcium, the calcium will be restored to the bones and the balance between your blood and bones will be maintained.
Mechanism of ActionCalcium gluceptate replenishes the deminished levels of calcium in the body, returning them to normal levels.
Absorption, Distribution and ExcretionRapidly absorbed following oral administration.
Uses & manufacturing
Use ClassificationCosmetics -> Skin conditioning
Applications
UsesReplenisher (calcium).
Suppliers32 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
1 records
Compound notes
Loading…