ferric carboxymaltose

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 18
Total Number of Articles : 49
PubChem 86278165
Molecular Formula

C24H44FeO25-

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]([C@@H](CO)O)[C@H]([C@@H](C(=O)[O-])O)O)CO)CO)O)O)O)O.O.[OH-].[O-2].[Fe+3]

InChI

InChI=1S/C24H42O22.Fe.2H2O.O/c25-1-5(29)18(11(32)14(35)21(39)40)44-23-16(37)12(33)20(7(3-27)42-23)46-24-17(38)13(34)19(8(4-28)43-24)45-22-15(36)10(31)9(30)6(2-26)41-22;;;;/h5-20,22-38H,1-4H2,(H,39,40);;2*1H2;/q;+3;;;-2/p-2/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14+,15-,16-,17-,18+,19-,20-,22-,23-,24-;;;;/m1..../s1

synonyms
  • Ferric carboxymaltose
  • Injectafer
  • (2S,3S,4S,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanoate;iron(3+);oxygen(2-);hydroxide;hydrate
Click to show/hide the synonyms
Properties
Property Value
MW 788.4 g/mol
HBD 16
HBA 25
Rotatable Bond Count 13
Exact Mass 788.152102 g/mol
Monoisotopic Mass 788.152102 g/mol
Heavy Atom Count 50
Isotope Atom Count 0
Atom Stereo Count 19
Covalent Unit Count 5
Complexity 940
xlogp None
Topological Polar Surface Area 382