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Sucralfate
Also known as: Gtpl7055, Q420394, [({[(2s,3r,4s,5r,6r)-4,5-bis({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-6-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]-2-{[(2r,3s,4s,5r)-3,4,5-tris({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-2-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]oxolan-2-yl]oxy}oxan-3-yl]oxy}sulfonyl)oxy]alumanediol
Molecular Formula
C11H44Al8O51S8
Molecular Weight
1464.8  g/mol
InChI Key
FTFYNJYNMCKWAJ-JQOFMKNESA-F

1 2D Structure

Sucralfate

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C11H20O35S8.8Al.16H2O/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;;;;;;16*1H2/q;8*+1;;;;;;;;;;;;;;;;/p-8/t3-,4-,5+,6-,7+,8+,9+,10-,11-;;;;;;;;;;;;;;;;;;;;;;;;/m1......................../s1
2.1.2 InChI Key
FTFYNJYNMCKWAJ-JQOFMKNESA-F
2.1.3 Canonical SMILES
C(C1C(C(C(C(O1)OC2(C(C(C(O2)OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])COS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
2.1.4 Isomeric SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])COS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Gtpl7055

2. Q420394

3. [({[(2s,3r,4s,5r,6r)-4,5-bis({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-6-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]-2-{[(2r,3s,4s,5r)-3,4,5-tris({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-2-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]oxolan-2-yl]oxy}oxan-3-yl]oxy}sulfonyl)oxy]alumanediol

2.3 Create Date
2013-03-06
3 Chemical and Physical Properties
Molecular Weight 1464.8 g/mol
Molecular Formula C11H44Al8O51S8
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count51
Rotatable Bond Count36
Exact Mass1463.713824 g/mol
Monoisotopic Mass1463.713824 g/mol
Topological Polar Surface Area532 Ų
Heavy Atom Count78
Formal Charge0
Complexity2400
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count17
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameCarafate
PubMed HealthSucralfate (By mouth)
Drug ClassesAntiulcer, Protectant
Drug LabelCARAFATE Suspension contains sucralfate and sucralfate is an -D-glucopyranoside, -D-fructofuranosyl-, octakis-(hydrogen sulfate), aluminum complex.CARAFATE Suspension for oral administration contains 1 g of sucralfate per 10 mL.CARAFATE Sus...
Active IngredientSucralfate
Dosage FormTablet; Suspension
RouteOral
Strength1gm/10ml; 1gm
Market StatusPrescription
CompanyForest Labs

2 of 2  
Drug NameCarafate
PubMed HealthSucralfate (By mouth)
Drug ClassesAntiulcer, Protectant
Drug LabelCARAFATE Suspension contains sucralfate and sucralfate is an -D-glucopyranoside, -D-fructofuranosyl-, octakis-(hydrogen sulfate), aluminum complex.CARAFATE Suspension for oral administration contains 1 g of sucralfate per 10 mL.CARAFATE Sus...
Active IngredientSucralfate
Dosage FormTablet; Suspension
RouteOral
Strength1gm/10ml; 1gm
Market StatusPrescription
CompanyForest Labs

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  • TABLET;ORAL - 1GM
  • SUSPENSION;ORAL - 1GM/10ML
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