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Substance Name: Dosmalfate [INN]
RN: 122312-55-4
UNII: P764IU074T
InChIKey: RIIQJLBJDMMSSK-RHFFRRHRSA-A

Note

  • A diosmiin heptakis.

Molecular Formula

  • C28-H60-Al14-O71-S7

Molecular Weight

  • 2213.9761
 
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Names and Synonyms

Name of Substance

  • Dosmalfate [INN]

Synonyms

  • (mu7-((Diosmin heptasulfato)(7-)))tetracontahydroxytetradecaaluminum
  • Dosmalfate
  • UNII-P764IU074T

Systematic Name

  • ((Diosmin heptasulfato)(7-))tetracontahydroxytetradecaaluminum.

Registry Numbers

CAS Registry Number

  • 122312-55-4

FDA UNII

  • P764IU074T

System Generated Number

  • 0122312554

Structure Descriptors

InChI

1S/C28H32O39S8.14Al.35H2O/c1-10-21(62-70(36,37)38)23(64-72(42,43)44)25(66-74(48,49)50)27(56-10)55-9-19-22(63-71(39,40)41)24(65-73(45,46)47)26(67-75(51,52)53)28(59-19)57-12-6-17-20(18(7-12)61-69(33,34)35)13(29)8-15(58-17)11-3-4-14(54-2)16(5-11)60-68(30,31)32;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-8,10,19,21-28H,9H2,1-2H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;;;;;;;;;;;35*1H2/q;14*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-43/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0................................................./s1

InChIKey

RIIQJLBJDMMSSK-RHFFRRHRSA-A

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(c(=O)cc(o4)c5ccc(c(c5)OS(=O)(=O)[O-])OC)c(c3)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]