CAS 274693-55-9

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3 End Use APIs
67 Related Intermediates

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Also known as: 274693-55-9, 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol, 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol, 1423768-25-5, 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol, Mfcd16875500

Molecular Formula

C₁₀H₁₉NO₄

Molecular Weight

217.26 g/mol

InChI Key

WNYYMPICYAOQAE-RYPBNFRJSA-N

1 2D Structure

CAS 274693-55-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol

2.1.2 InChI

InChI=1S/C10H19NO4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12/h6-9,12H,3-5,11H2,1-2H3/t6-,7+,8+,9-/m1/s1

2.1.3 InChI Key

WNYYMPICYAOQAE-RYPBNFRJSA-N

2.1.4 Canonical SMILES

CC1(OC2C(CC(C2O1)OCCO)N)C

2.1.5 Isomeric SMILES

CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)OCCO)N)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 274693-55-9

2. 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol

3. 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol

4. 1423768-25-5

5. 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol

6. Mfcd16875500

7. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol

8. 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]-dioxol-4-yl]oxy]-1-ethanol

9. Rel-2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol

10. Ticagrelor Intermediate1

11. Amot0085

12. Schembl1834548

13. Ticagrelor Related Compound 87

14. Dtxsid40433136

15. Zinc72194457

16. Akos015951194

17. Ex-7176

18. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol

19. Ac-28727

20. Ds-13962

21. Ethanol, 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-

22. Db-067793

23. Am20090744

24. Cs-0055080

25. D82263

26. P11947

27. A846828

28. J-506153

29. 2-(6-amino-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yloxy)-ethanol

30. (3 As,4r,6s,6ar)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-amine

31. [(1r,5s,6r,8s)-8-(2-hydroxyethoxy)-3,3-dimethyl-2,4-dioxabicyclo[3.3.0]octane-6-yl]amine

32. 2-((3 Ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3 Ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol

33. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol;2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol

34. 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-2h,3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol

35. Rel-2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₉NO₄
Molecular Weight	217.26 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	217.13140809 g/mol
Monoisotopic Mass	217.13140809 g/mol
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	234
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	1