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Also known as: 1978336-95-6, 94en2e6blw, Gb-1211, Refchem:1098447, Gb1211, Selvigaltin [inn]

Molecular Formula

C₁₉H₁₆BrF₃N₄O₄S

Molecular Weight

533.3 g/mol

InChI Key

FNCLKJPMEFPXOR-QFACEVIFSA-N

FDA UNII

94EN2E6BLW

SELVIGALTIN is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 5 investigational indications.

1 2D Structure

Selvigaltin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3R,4S,5R,6R)-2-[(5-bromo-3-pyridinyl)sulfanyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol

2.1.2 InChI

InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2/t14-,16+,17+,18-,19-/m1/s1

2.1.3 InChI Key

FNCLKJPMEFPXOR-QFACEVIFSA-N

2.2 Other Identifiers

2.2.1 UNII

94EN2E6BLW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1978336-95-6

2. 94en2e6blw

3. Gb-1211

4. Refchem:1098447

5. Gb1211

6. Selvigaltin [inn]

7. Chembl5182222

8. (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

9. (2r,3r,4s,5r,6r)-2-((5-bromopyridin-3-yl)thio)-6-(hydroxymethyl)-4-(4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl)tetrahydro-2h-pyran-3,5-diol

10. Selvigaltina

11. Selvigaltine

12. 5-bromopyridin-3-yl 3-deoxy-1-thio-3-(4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl)-alpha-d-galactopyranoside

13. 5-bromopyridin-3-yl 3-deoxy-1-thio-3-[4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl]-alpha-d-galactopyranoside

14. Selvigaltin (usan/inn)

15. Selvigaltin [usan]

16. Unii-94en2e6blw

17. Orb1686286

18. Schembl17964104

19. Dtxsid201359521

20. Glxc-26508

21. Ex-a8646

22. Bdbm50591132

23. Gb1211?

24. Ms-29855

25. Hy-147041

26. D12763

27. (2r,3r,4s,5r,6r)-2-(5-bromopyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol

28. 5-bromo-3-pyridinyl 3-deoxy-1-thio-3-(4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl)-alpha-d-galactopyranoside

29. Alpha-d-galactopyranoside, 5-bromo-3-pyridinyl 3-deoxy-1-thio-3-(4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl)-

30. Alpha-d-galactopyranoside, 5-bromo-3-pyridinyl-3-deoxy-1-thio-3-[4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl]-

31. Ju0

2.4 Create Date

2016-12-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₆BrF₃N₄O₄S
Molecular Weight	533.3 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	139
Heavy Atom Count	32
Formal Charge	0
Complexity	625
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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