Ferric Hydroxide Polymaltose

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Also known as: 79173-09-4, (3r,4s,5s,6r)-2-[(2r,3s,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;iron;trihydrate

Molecular Formula

C₁₈H₃₈FeO₁₉

Molecular Weight

614.3 g/mol

InChI Key

JICBXNUMUPJKLZ-KDXXRCKWSA-N

1 2D Structure

Ferric Hydroxide Polymaltose

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;iron;trihydrate

2.1.2 InChI

InChI=1S/C18H32O16.Fe.3H2O/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24;;;;/h4-29H,1-3H2;;3*1H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?;;;;/m1..../s1

2.1.3 InChI Key

JICBXNUMUPJKLZ-KDXXRCKWSA-N

2.1.4 Canonical SMILES

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O.O.O.O.[Fe]

2.1.5 Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O.O.O.O.[Fe]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Ferric Hydroxide-polymaltose

2. Ferric Polymaltose

3. Ferripolyisomaltose

4. Ferrum Hausmann

5. Intrafer

6. Iron Hydroxide Polymaltose

7. Iron Polymaltose

8. Iron(iii)-hydroxide-dextrin

9. Iron-polymaltose Complex

10. Teferrol

2.2.2 Depositor-Supplied Synonyms

1. 79173-09-4

2. (3r,4s,5s,6r)-2-[(2r,3s,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;iron;trihydrate

2.3 Create Date

2017-11-19

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₈FeO₁₉
Molecular Weight	614.3 g/mol
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	7
Exact Mass	614.135665 g/mol
Monoisotopic Mass	614.135665 g/mol
Topological Polar Surface Area	272 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	644
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Hematinics

Agents which improve the quality of the blood, increasing the hemoglobin level and the number of erythrocytes. They are used in the treatment of anemias. (See all compounds classified as Hematinics.)