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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

CAS 38089-93-9
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

BUILDING BLOCK

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