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2D Structure
Also known as: 1296149-13-7, 7ri65cxj9s, Glucosamine sulfate sodium chloride [who-dd], D-glucose, 2-amino-2-deoxy-, sulfate, compd. with sodium chloride, D-glucose, 2-amino-2-deoxy-, sulfate, compd. with sodium chloride (2:1:2), Disodium;(2r,3r,4s,5r)-2-amino-3,4,5,6-tetrahydroxyhexanal;sulfuric acid;dichloride
Molecular Formula
C12H28Cl2N2Na2O14S
Molecular Weight
573.3  g/mol
InChI Key
SNILGVJTEVNNRV-VQRMJQQYSA-L
FDA UNII
7RI65CXJ9S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
disodium;(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;sulfuric acid;dichloride
2.1.2 InChI
InChI=1S/2C6H13NO5.2ClH.2Na.H2O4S/c2*7-3(1-8)5(11)6(12)4(10)2-9;;;;;1-5(2,3)4/h2*1,3-6,9-12H,2,7H2;2*1H;;;(H2,1,2,3,4)/q;;;;2*+1;/p-2/t2*3-,4+,5+,6+;;;;;/m00...../s1
2.1.3 InChI Key
SNILGVJTEVNNRV-VQRMJQQYSA-L
2.1.4 Canonical SMILES
C(C(C(C(C(C=O)N)O)O)O)O.C(C(C(C(C(C=O)N)O)O)O)O.OS(=O)(=O)O.[Na+].[Na+].[Cl-].[Cl-]
2.1.5 Isomeric SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O.OS(=O)(=O)O.[Na+].[Na+].[Cl-].[Cl-]
2.2 Other Identifiers
2.2.1 UNII
7RI65CXJ9S
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1296149-13-7

2. 7ri65cxj9s

3. Glucosamine Sulfate Sodium Chloride [who-dd]

4. D-glucose, 2-amino-2-deoxy-, Sulfate, Compd. With Sodium Chloride

5. D-glucose, 2-amino-2-deoxy-, Sulfate, Compd. With Sodium Chloride (2:1:2)

6. Disodium;(2r,3r,4s,5r)-2-amino-3,4,5,6-tetrahydroxyhexanal;sulfuric Acid;dichloride

7. Unii-7ri65cxj9s

8. Glucosamine Sulfate Sodium Chloride [usp]

9. Glucosamine Sulphate (as Sodium Chloride)

10. Q27268756

11. Glucosamine Sulfate Sodium Chloride [ep Monograph]

12. Glucosamine Sulfate Sodium Chloride [usp Impurity]

2.4 Create Date
2014-08-25
3 Chemical and Physical Properties
Molecular Weight 573.3 g/mol
Molecular Formula C12H28Cl2N2Na2O14S
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Exact Mass572.0433687 g/mol
Monoisotopic Mass572.0433687 g/mol
Topological Polar Surface Area331 Ų
Heavy Atom Count33
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count7