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Chemistry

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Also known as: 9005-34-9, 6-(2-carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid, Kaltostat, 3-((6-carboxy-3,4-dihydroxy-5-methoxytetrahydro-2h-pyran-2-yl)oxy)-4,5-dihydroxy-6-methoxytetrahydro-2h-pyran-2-carboxylic acid, Schembl10118904, Akos015915207
Molecular Formula
C14H22O13
Molecular Weight
398.32  g/mol
InChI Key
GKFPPCXIBHQRQT-UHFFFAOYSA-N

Kaltostat
Salts and esters of ALGINIC ACID that are used as HYDROGELS; DENTAL IMPRESSION MATERIALS, and as absorbent materials for surgical dressings (BANDAGES, HYDROCOLLOID). They are also used to manufacture MICROSPHERES and NANOPARTICLES for DIAGNOSTIC REAGENT KITS and DRUG DELIVERY SYSTEMS.
1 2D Structure

Kaltostat

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-(2-carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
2.1.2 InChI
InChI=1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)
2.1.3 InChI Key
GKFPPCXIBHQRQT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1C(C(C(OC1C(=O)O)OC2C(C(C(OC2C(=O)O)OC)O)O)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Alginate

2. Alginate, Barium

3. Alginate, Calcium

4. Alginate, Copper

5. Alginate, Potassium

6. Alginate, Sodium

7. Alginate, Sodium Calcium

8. Alginates

9. Alginic Acid, Barium Salt

10. Alginic Acid, Calcium Salt

11. Alginic Acid, Copper Salt

12. Alginic Acid, Potassium Salt

13. Alginic Acid, Sodium Salt

14. Alloid G

15. Barium Alginate

16. Calcium Alginate

17. Calcium Alginate, Sodium

18. Calginat

19. Copper Alginate

20. Kalrostat

21. Kalrostat 2

22. Kaltostat

23. Poly(mannuronic Acid), Sodium Salt

24. Potassium Alginate

25. Sodium Alginate

26. Sodium Calcium Alginate

27. Vocoloid

28. Xantalgin

2.2.2 Depositor-Supplied Synonyms

1. 9005-34-9

2. 6-(2-carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic Acid

3. Kaltostat

4. 3-((6-carboxy-3,4-dihydroxy-5-methoxytetrahydro-2h-pyran-2-yl)oxy)-4,5-dihydroxy-6-methoxytetrahydro-2h-pyran-2-carboxylic Acid

5. Schembl10118904

6. Akos015915207

7. A843434

8. 6-(2-carboxy-4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl)oxy-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-carboxylic Acid

2.3 Create Date
2006-06-06
3 Chemical and Physical Properties
Molecular Weight 398.32 g/mol
Molecular Formula C14H22O13
XLogP3-3.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass398.10604075 g/mol
Monoisotopic Mass398.10604075 g/mol
Topological Polar Surface Area202 Ų
Heavy Atom Count27
Formal Charge0
Complexity541
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Minimum/Potential Fatal Human Dose

1(?). 1= PRACTICALLY NONTOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) ABOVE 15 G/KG, MORE THAN 1 QUART (2.2 LB) FOR 70 KG PERSON (150 LB). /ALGINIC ACID/

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-155


5 Pharmacology and Biochemistry
5.1 Absorption, Distribution and Excretion

ALGINATE PREPARED FROM LAMINARIA DIGITATA WAS UNABSORBED BY RATS FED AT LEVEL OF 10% OF THEIR DAILY DIET. /ALGINATE/

The Chemical Society. Foreign Compound Metabolism in Mammals Volume 3. London: The Chemical Society, 1975., p. 344


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