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CAS 38089-93-9
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 Weight 342.9 g/mol
Molecular Formula C20H23ClN2O
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass342.1498911 g/mol
Monoisotopic Mass342.1498911 g/mol
Topological Polar Surface Area36.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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