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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H24O39S8.14Al.35HO
Molecular Weight 2213.985
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge -1

SHOW SMILES / InChI
Structure of DOSMALFATE

SMILES

[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].COC1=CC=C(C=C1OS([O-])(=O)=O)C2=CC(=O)C3=C(O2)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H]5OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)C=C3OS([O-])(=O)=O

InChI

InChIKey=RIIQJLBJDMMSSK-RHFFRRHRSA-A
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

HIDE SMILES / InChI
Dosmalfate (diosmin heptakis) is a cytoprotective agent of flavonoid nature. It acts as a non-systemic antiulcer agent lacking antisecretory activity, capable of constituting a complex with the pepsin protein substrate or with pepsin itself. The drug was marketed in Spain under the name Diotulfase (among the others) for the treatment of NSIAD-induced ulcer, however, it is no longer available.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
DIOTULFAES

Approved Use

Prevention and treatment of gastroduodenal injuries induced by chronic treatments with non-steroidal anti-inflammatory drugs.
PubMed

PubMed

TitleDatePubMed
A new flavonoid derivative, dosmalfate, attenuates the development of dextran sulphate sodium-induced colitis in mice.
2003 Dec
Effects of dosmalfate, a new cytoprotective agent, on acute and chronic trinitrobenzene sulphonic acid-induced colitis in rats.
2003 Jan 24
Patents

Patents

Sample Use Guides

The recommended dosage is 3 g per day, divided into two doses, preferably with an empty stomach.
Route of Administration: Oral
In Vitro Use Guide
Unknown
Name Type Language
DOSMALFATE
INN   MART.   MI   WHO-DD  
INN  
Official Name English
(.MU.(SUB 7)-((DIOSMIN HEPTASULFATO)(7-)))TETRACONTAHYDROXYTETRADECAALUMINUM
Common Name English
(.MU.(SUB 7)-((DIOSMIN HEPTASULFATO)(7-)))TETRACONTAHYDROXYTETRADECAALUMINIUM
Common Name English
dosmalfate [INN]
Common Name English
DOSMALFATE [MART.]
Common Name English
Dosmalfate [WHO-DD]
Common Name English
DOSMALFATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m4746
Created by admin on Sat Dec 16 17:01:17 GMT 2023 , Edited by admin on Sat Dec 16 17:01:17 GMT 2023
PRIMARY Merck Index
CAS
122312-55-4
Created by admin on Sat Dec 16 17:01:17 GMT 2023 , Edited by admin on Sat Dec 16 17:01:17 GMT 2023
PRIMARY
INN
6486
Created by admin on Sat Dec 16 17:01:17 GMT 2023 , Edited by admin on Sat Dec 16 17:01:17 GMT 2023
PRIMARY
PUBCHEM
76965401
Created by admin on Sat Dec 16 17:01:17 GMT 2023 , Edited by admin on Sat Dec 16 17:01:17 GMT 2023
PRIMARY
FDA UNII
P764IU074T
Created by admin on Sat Dec 16 17:01:17 GMT 2023 , Edited by admin on Sat Dec 16 17:01:17 GMT 2023
PRIMARY
SMS_ID
100000080768
Created by admin on Sat Dec 16 17:01:17 GMT 2023 , Edited by admin on Sat Dec 16 17:01:17 GMT 2023
PRIMARY
NCI_THESAURUS
C174835
Created by admin on Sat Dec 16 17:01:17 GMT 2023 , Edited by admin on Sat Dec 16 17:01:17 GMT 2023
PRIMARY
EVMPD
SUB06376MIG
Created by admin on Sat Dec 16 17:01:17 GMT 2023 , Edited by admin on Sat Dec 16 17:01:17 GMT 2023
PRIMARY