Glucosamine Sulfate Potassium Chloride

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Also known as: 1296149-08-0, Glucosamine sulfate potassium chloride [who-dd], 15vq11i66n, D-glucose, 2-amino-2-deoxy-, sulfate, compd. with potassium chloride, D-glucose, 2-amino-2-deoxy-, sulfate, compd. with potassium chloride (2:1:2), Dipotassium;(2r,3r,4s,5r)-2-amino-3,4,5,6-tetrahydroxyhexanal;sulfuric acid;dichloride

Molecular Formula

C₁₂H₂₈Cl₂K₂N₂O₁₄S

Molecular Weight

605.5 g/mol

InChI Key

ZGYRLIPOHALCCV-VQRMJQQYSA-L

FDA UNII

15VQ11I66N

1 2D Structure

Glucosamine Sulfate Potassium Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dipotassium;(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;sulfuric acid;dichloride

2.1.2 InChI

InChI=1S/2C6H13NO5.2ClH.2K.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

ZGYRLIPOHALCCV-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.[Cl-].[Cl-].[K+].[K+]

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.[Cl-].[Cl-].[K+].[K+]

2.2 Other Identifiers

2.2.1 UNII

15VQ11I66N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1296149-08-0

2. Glucosamine Sulfate Potassium Chloride [who-dd]

3. 15vq11i66n

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

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

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

7. Unii-15vq11i66n

8. Glucosamine Sulfate Potassium Chloride [usp]

9. Glucosamine Sulfate (as Potassium Chloride)

10. Glucosamine Sulfphate (as Potassium Chloride)

11. J-008651

12. Q27251744

13. Glucosamine Sulfate Potassium Chloride [ep Monograph]

14. Glucosamine Sulfate Potassium Chloride [usp Impurity]

2.4 Create Date

2014-08-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₈Cl₂K₂N₂O₁₄S
Molecular Weight	605.5 g/mol
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	10
Exact Mass	603.9912431 g/mol
Monoisotopic Mass	603.9912431 g/mol
Topological Polar Surface Area	331 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	7