Dosmalfate

CAS Registry Number®

122312-55-4

CAS Name

Dosmalfate

Molecular Formula

C28H60Al14O71S7

Cite this Page

Dosmalfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122312-55-4 (retrieved 2024-11-28) (CAS RN: 122312-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H32O36S7.14Al.35H2O/c1-10-21(59-66(34,35)36)23(61-68(40,41)42)25(63-70(46,47)48)27(54-10)53-9-19-22(60-67(37,38)39)24(62-69(43,44)45)26(64-71(49,50)51)28(57-19)55-12-6-13(29)20-14(30)8-16(56-18(20)7-12)11-3-4-15(52-2)17(5-11)58-65(31,32)33;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-8,10,19,21-29H,9H2,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;;;;;;;;;;;35*1H2/q;14*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-42

InChIKey

InChIKey=DBPNJHQIGXOQGY-UHFFFAOYSA-A

SMILES

O(S([O-][Al+3]1([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]1)(=O)=O)C2C(OS([O-][Al+3]3([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]3)(=O)=O)C(OC=4C=C5C(=C(O)C4)C(=O)C=C(O5)C6=CC(OS([O-][Al+3]7([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]7)(=O)=O)=C(OC)C=C6)OC(COC8C(OS([O-][Al+3]9([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]9)(=O)=O)C(OS([O-][Al+3]%10([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]%10)(=O)=O)C(OS([O-][Al+3]%11([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]%11)(=O)=O)C(C)O8)C2OS([O-][Al+3]%12([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]%12)(=O)=O

Canonical SMILES

O=C1C=C(OC2=CC(OC3OC(COC4OC(C)C(OS(=O)(=O)[O-][Al+3]5([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]5)C(OS(=O)(=O)[O-][Al+3]6([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]6)C4OS(=O)(=O)[O-][Al+3]7([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]7)C(OS(=O)(=O)[O-][Al+3]8([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]8)C(OS(=O)(=O)[O-][Al+3]9([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]9)C3OS(=O)(=O)[O-][Al+3]%10([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]%10)=CC(O)=C12)C=%11C=CC(OC)=C(OS(=O)(=O)[O-][Al+3]%12([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]%12)C%11

Other Names for this Substance

  • Aluminum, [μ7-[7-[[6-O-[6-deoxy-2,3,4-tri-O-(sulfo-κO)-α-L-mannopyranosyl]-2,3,4-tri-O-(sulfo-κO)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-[4-methoxy-3-[(sulfo-κO)oxy]phenyl]-4H-1-benzopyran-4-onato(7-)]]tetradeca-μ-hydroxyheneicosahydroxytetradeca-
  • Aluminum, [μ7-[7-[[6-O-(6-deoxy-2,3,4-tri-O-sulfo-α-L-mannopyranosyl)-2,3,4-tri-O-sulfo-β-D-glucopyranosyl]oxy]-5-hydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-onato(7-)]]tetradeca-μ-hydroxyheneicosahydroxytetradeca-
  • [μ7-[7-[[6-O-[6-Deoxy-2,3,4-tri-O-(sulfo-κO)-α-L-mannopyranosyl]-2,3,4-tri-O-(sulfo-κO)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-[4-methoxy-3-[(sulfo-κO)oxy]phenyl]-4H-1-benzopyran-4-onato(7-)]]tetradeca-μ-hydroxyheneicosahydroxytetradecaaluminum
  • Dosmalfate
  • [μ7-[[Diosmin heptasulfato](7-)]]tetracontahydroxytetradecaaluminum

CAS INSIGHTSTM
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