calcium citrate Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

592.51

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: [Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(=O)[O-]
  • InChIKey: YPCRNBPOUVJVMU-LCGAVOCYSA-L
    InChI=1S/C12H22O12.C6H12O7.Ca/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-10,12-20H,1-2H2,(H,21,22);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;2-,3-,4+,5-;/m11./s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2219740   ChEMBL
calcium glubionate *

CHEMBL2104594   ChEMBL
calcium glubionate

CHEMBL2106119   ChEMBL

CHEMBL2106123   ChEMBL
calcium citrate

CHEMBL2106978   ChEMBL
potassium gluconate

Calcium glubionate   Wikipedia

Calcium citrate   Wikipedia

Calcium citrate malate   Wikipedia

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