CAS 154477-55-1

Chemistry, 4 End Use API, 20 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: 154477-55-1, 2-[4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester, Methyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate, Methyl 2-(4-{4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butanoyl}phenyl)-2-methylpropanoate, Methyl ketofexofenadine, Schembl2265221

Molecular Formula

C₃₃H₃₉NO₄

Molecular Weight

513.7 g/mol

InChI Key

PGQMZSGBFIPEKX-UHFFFAOYSA-N

1 2D Structure

CAS 154477-55-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate

2.1.2 InChI

InChI=1S/C33H39NO4/c1-32(2,31(36)38-3)26-18-16-25(17-19-26)30(35)15-10-22-34-23-20-29(21-24-34)33(37,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,37H,10,15,20-24H2,1-3H3

2.1.3 InChI Key

PGQMZSGBFIPEKX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 154477-55-1

2. 2-[4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic Acid Methyl Ester

3. Methyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate

4. Methyl 2-(4-{4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butanoyl}phenyl)-2-methylpropanoate

5. Methyl Ketofexofenadine

6. Schembl2265221

7. 1-oxo Fexofenadine Methyl Ester

8. Bcp29183

9. Mfcd08063765

10. Zinc21991763

11. Akos015891244

12. Ac-8098

13. Ds-3688

14. Cs-0154635

15. Ft-0653807

16. D94841

17. 477h551

18. J-009107

19. Methyl2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate

20. 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxo-butyl]-alpha,alpha-dimethylbenzeneacetic Acid Methyl Ester

21. 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl] -alpha,alpha-dimethylbenzeneacetic Acid Methyl Ester

22. 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha, Alpha-dimethylbenzeneacetic Acid Methyl Ester

23. 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic Acid Methyl Ester

24. 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic Acid, Methyl Ester

25. 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1oxobutyl]-alpha,alpha-dimethylbenzeneacetic Acid, Methyl Ester

26. Meth Yl 4-[4-[4-(hydroxydiphenylmethy)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate

27. Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl) Piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate

28. Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methyl-propanoate

29. Methyl 4-[4-[-4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate

30. Methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-pip Eridinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate

31. Methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha, Alpha-dimethylphenylacetate

32. Methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate

33. Methyl-4-4(4-hydroxy Diphenyl-methyl)-piperidine-1-oxobutyl-2-2-dimethyl Phenyl 2-[4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic Acid Meth

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₃₉NO₄
Molecular Weight	513.7 g/mol
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	513.28790873 g/mol
Monoisotopic Mass	513.28790873 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	733
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1