Nicotinamide Riboside Chloride

Synopsis, Chemistry

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Also known as: 23111-00-4, 3-carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium chloride, 8xm2xt8vwi, Nicotinamide ribose chloride, Nicotinamide riboside (chloride), 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide;chloride

Molecular Formula

C₁₁H₁₅ClN₂O₅

Molecular Weight

290.70 g/mol

InChI Key

YABIFCKURFRPPO-IVOJBTPCSA-N

FDA UNII

8XM2XT8VWI

1 2D Structure

Nicotinamide Riboside Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide;chloride

2.1.2 InChI

InChI=1S/C11H14N2O5.ClH/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11;/h1-4,7-9,11,14-16H,5H2,(H-,12,17);1H/t7-,8-,9-,11-;/m1./s1

2.1.3 InChI Key

YABIFCKURFRPPO-IVOJBTPCSA-N

2.1.4 Canonical SMILES

C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)N.[Cl-]

2.1.5 Isomeric SMILES

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

8XM2XT8VWI

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 23111-00-4

2. 3-carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium Chloride

3. 8xm2xt8vwi

4. Nicotinamide Ribose Chloride

5. Nicotinamide Riboside (chloride)

6. 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide;chloride

7. Ss-nicotinamide Riboside

8. Unii-8xm2xt8vwi

9. Srt647;niagen

10. Schembl17315043

11. Mfcd27952781

12. Hy-123033a

13. Ac-29830

14. Ws-00064

15. Cs-0098615

16. F20757

17. F20758

18. A901913

19. Eh-301 Component Nicotinamide Riboside Chloride

20. Pyridinium, 3-carbamoyl-1-beta-d-ribofuranosyl-, Chloride

21. Pyridinium, 3-(aminocarbonyl)-1-beta-d-ribofuranosyl-, Chloride

22. Pyridinium, 3-carbamoyl-1-.beta.-d-ribofuranosyl-, Chloride

23. Pyridinium, 3-(aminocarbonyl)-1-.beta.-d-ribofuranosyl-, Chloride

24. 3-carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-iumchloride

25. 3-carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridinium Chloride

2.4 Create Date

2015-02-23

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅ClN₂O₅
Molecular Weight	290.70 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	290.0669493 g/mol
Monoisotopic Mass	290.0669493 g/mol
Topological Polar Surface Area	117 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	314
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2