CAS 38089-93-9

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1 Suppliers, 1 End Use APIs, 33 Related Intermediates

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1 End Use APIs
33 Related Intermediates

Chemistry

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Also known as: 38089-93-9, 8-chloro-11-(1-methylpiperidin-4-yl)-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol, 11-hydroxy-n-methyl dihydro loratadine, Loratadine impurity d, Desloratadine 11-hydroxy-n-methyl

Molecular Formula

C₂₀H₂₃ClN₂O

Molecular Weight

342.9 g/mol

InChI Key

HSLLZISLOQPUNP-UHFFFAOYSA-N

FDA UNII

7FN2MM460T

1 2D Structure

CAS 38089-93-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol

2.1.2 InChI

InChI=1S/C20H23ClN2O/c1-23-11-8-16(9-12-23)20(24)18-7-6-17(21)13-15(18)5-4-14-3-2-10-22-19(14)20/h2-3,6-7,10,13,16,24H,4-5,8-9,11-12H2,1H3

2.1.3 InChI Key

HSLLZISLOQPUNP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC(CC1)C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)O

2.2 Other Identifiers

2.2.1 UNII

7FN2MM460T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 38089-93-9

2. 8-chloro-11-(1-methylpiperidin-4-yl)-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol

3. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol

4. 11-hydroxy-n-methyl Dihydro Loratadine

5. Loratadine Impurity D

6. Desloratadine 11-hydroxy-n-methyl

7. (+/-)-11-hydroxy-n-methyldesloratadine

8. 7fn2mm460t

9. 13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol

10. 5h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-

11. 8-chloro-11-(1-methylpiperidin-4-yl)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ol

12. (11rs)-8-chloro-11-hydroxy-11-(1-methylpiperidin-4-yl)-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

13. Unii-7fn2mm460t

14. Ec 609-518-7

15. Loratadine Impurity 10

16. Schembl4457894

17. Dtxsid301119015

18. Usp Loratadine Related Compound D

19. Bcp31811

20. Akos015964678

21. Ac-26334

22. Loratadine Impurity, 8-chloro-6,11-dihydro-11-(n-methyl-4-piperidinyl)11-hydroxy-5h-benzo(5,6)cyclohepta(1,2-b)pyridine- [usp]

23. Db-027524

24. Cs-0451904

25. Ft-0657832

26. Hydroxy Deacyl Analog [usp Impurity]

27. 089c939

28. Q27268201

29. 11-hydroxy N-methyl Dihydrodesloratadine; 8-chloro-6,11-dihydro-11-[n-methyl-4 Piperidinyl]-11-hydroxy-5h-benzo[5,6] Cyclohepta[1,2-b]pyridine

30. 13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol

31. 8-chloro-11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5hbenzo(5,6)cyclohepta(1,2-b)pyridin-11-ol

32. Loratadine Impurity, 8-chloro-6,11-dihydro-11-(n-methyl-4-piperidinyl)11-hydroxy-5h-benzo(5,6)cyclohepta(1,2-b)pyridine-[usp Impurity]

2.4 Create Date

2006-12-11

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₃ClN₂O
Molecular Weight	342.9 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	342.1498911 g/mol
Monoisotopic Mass	342.1498911 g/mol
Topological Polar Surface Area	36.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	439
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1