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Chemistry

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Also known as: 1810869-23-8, Mk-8527, Alimatravir (usan), Alimatravir [usan], Alimatravir, Alimatravir [inn]
Molecular Formula
C13H13ClN4O3
Molecular Weight
308.72  g/mol
InChI Key
QNBRWIDODCWXKA-IGJMFERPSA-N
FDA UNII
G2CS3JB82T

MK-8527
1 2D Structure

MK-8527

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
2.1.2 InChI
InChI=1S/C13H13ClN4O3/c1-2-13(6-19)8(20)5-9(21-13)18-4-3-7-10(15)16-12(14)17-11(7)18/h1,3-4,8-9,19-20H,5-6H2,(H2,15,16,17)/t8-,9+,13+/m0/s1
2.1.3 InChI Key
QNBRWIDODCWXKA-IGJMFERPSA-N
2.2 Other Identifiers
2.2.1 UNII
G2CS3JB82T
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1810869-23-8

2. Mk-8527

3. Alimatravir (usan)

4. Alimatravir [usan]

5. Alimatravir

6. Alimatravir [inn]

7. G2cs3jb82t

8. Orb2565777

9. Schembl17106730

10. Qnbrwidodcwxka-igjmferpsa-n

11. D13189

12. H58534

13. T86907

14. (2r,3s,5r)-5-(4-amino-2-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)tetrahydrofuran-3-ol

15. 2-chloro-7-(2-deoxy-4-c-ethynyl-

16. A-d-erythro-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine

17. 2-chloro-7-(2-deoxy-4-c-ethynyl-beta-d-erythro-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine

18. 7h-pyrrolo[2,3-d]pyrimidin-4-amine, 2-chloro-7-(2-deoxy-4-c-ethynyl-beta-d-erythro-pentofuranosyl)-

2.4 Create Date
2016-02-23
3 Chemical and Physical Properties
Molecular Weight 308.72 g/mol
Molecular Formula C13H13ClN4O3
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area106
Heavy Atom Count21
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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