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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Also known as: Dasc, Carbaldrate anhydrous, Rolaids (pre-1995), Aluminum;sodium;carbonate;dihydroxide, 84h8z9550j, Dihydroxyaluminum sodium carbonate [ii]

Molecular Formula

CH₂AlNaO₅

Molecular Weight

143.99 g/mol

InChI Key

SEIGJEJVIMIXIU-UHFFFAOYSA-J

FDA UNII

84H8Z9550J

1 2D Structure

Dihydroxyaluminum Sodium Carbonate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

aluminum;sodium;carbonate;dihydroxide

2.1.2 InChI

InChI=1S/CH2O3.Al.Na.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;+3;+1;;/p-4

2.1.3 InChI Key

SEIGJEJVIMIXIU-UHFFFAOYSA-J

2.1.4 Canonical SMILES

C(=O)([O-])[O-].[OH-].[OH-].[Na+].[Al+3]

2.2 Other Identifiers

2.2.1 UNII

84H8Z9550J

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dawsonite

2. Dihydroxy Sodium Aluminum Carbonate

3. Dihydroxyaluminum Sodium Carbonate

4. Dihydroxyaluminum Sodium Carbonate Potassium Salt

5. Kompensan

2.3.2 Depositor-Supplied Synonyms

1. Dasc

2. Carbaldrate Anhydrous

3. Rolaids (pre-1995)

4. Aluminum;sodium;carbonate;dihydroxide

5. 84h8z9550j

6. Dihydroxyaluminum Sodium Carbonate [ii]

7. Dihydroxyaluminum Sodium Carbonate [mi]

8. Dihydroxyaluminum Sodium Carbonate [mart.]

9. Dihydroxyaluminum Sodium Carbonate [vandf]

10. Dihydroxyaluminum Sodium Carbonate [who-dd]

11. Aluminate(1-), (carbonato)dihydroxy-, Sodium

12. Q27269528

13. Dihydroxyaluminum Sodium Carbonate [usp Monograph]

14. Sodium (t-4)-(carbonato(2-)-o,o')dihydroxyaluminate(1-)

15. Aluminium, (carbonato(1-)-o)dihydroxy-, Monosodium Salt

16. 539-68-4

17. Aluminate(1-), (carbonato(2-)-.kappa.o,.kappa.o')dihydroxy-, Sodium (1:1), (t-4)-

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	CH₂AlNaO₅
Molecular Weight	143.99 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	143.9615309 g/mol
Monoisotopic Mass	143.9615309 g/mol
Topological Polar Surface Area	65.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	18.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5