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Also known as: Azd-1236, 459814-90-5, Azd1236, 459814-89-2, B4oqy51wzs, Azd 1236

Molecular Formula

C₁₅H₁₉ClN₄O₅S

Molecular Weight

402.9 g/mol

InChI Key

SFJFBTPHDHUUPU-OAHLLOKOSA-N

FDA UNII

B4OQY51WZS

AZD1236 has been used in trials studying the basic science and treatment of Cystic Fibrosis and Chronic Obstructive Pulmonary Disease.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5S)-5-[[4-(5-chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

2.1.2 InChI

InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1

2.1.3 InChI Key

SFJFBTPHDHUUPU-OAHLLOKOSA-N

2.1.4 Canonical SMILES

CC1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCC(CC2)OC3=NC=C(C=C3)Cl

2.1.5 Isomeric SMILES

C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCC(CC2)OC3=NC=C(C=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

B4OQY51WZS

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-((5-chloro-2-pyridinyl)oxy)-1-((((4s)-4-methyl-2,5-dioxo-4-imidazolidinyl)methyl)sulfonyl)-piperidine

2. Azd 1236

3. Azd-1236

4. Azd1236

2.3.2 Depositor-Supplied Synonyms

1. Azd-1236

2. 459814-90-5

3. Azd1236

4. 459814-89-2

5. B4oqy51wzs

6. Azd 1236

7. (5s)-5-[[4-(5-chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

8. (s)-5-(((4-((5-chloropyridin-2-yl)oxy)piperidin-1-yl)-sulfonyl)methyl)-5-methylimidazolidine-2,4-dione

9. 2,4-imidazolidinedione, 5-(((4-((5-chloro-2-pyridinyl)oxy)-1-piperidinyl)sulfonyl)methyl)-5-methyl-, (5s)-

10. Piperidine, 4-((5-chloro-2-pyridinyl)oxy)-1-((((4s)-4-methyl-2,5-dioxo-4-imidazolidinyl)methyl)sulfonyl)-

11. Unii-b4oqy51wzs

12. Schembl942315

13. Gtpl7844

14. Chembl4297352

15. Dtxsid30647184

16. Azd 1236 [who-dd]

17. Zinc59688588

18. Akos016011525

19. Db11961

20. (5s)-5-({4-[(5-chloropyridin-2-yl)oxy]piperidine-1-sulfonyl}methyl)-5-methylimidazolidine-2,4-dione

21. A924663

22. Q27074700

23. (s)-5-[4-(5-chloro-pyridin-2-yloxy)-piperidine-1-sulfonylmethyl]-5-methyl-imidazolidine-2,4-dione

2.4 Create Date

2008-03-17

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₉ClN₄O₅S
Molecular Weight	402.9 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	402.0764686 g/mol
Monoisotopic Mass	402.0764686 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	661
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

(S)-5-(((4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)-sulfonyl)methyl)-5-methylimidazolidine-2,4-dione

(S)-5-(((4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)-sulfonyl)methyl)-5-methylimidazolidine-2,4-dione

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