CAS 43076-30-8

Chemistry, 1 End Use API, 3 Related Intermediates

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Also known as: Terfenadone, 43076-30-8, 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one, Chembl205154, W5xzu6s762, 1-(4-(tert-butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one

Molecular Formula

C₃₂H₃₉NO₂

Molecular Weight

469.7 g/mol

InChI Key

YCADFOXVGUGHRV-UHFFFAOYSA-N

FDA UNII

W5XZU6S762

1 2D Structure

CAS 43076-30-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one

2.1.2 InChI

InChI=1S/C32H39NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,35H,10,15,20-24H2,1-3H3

2.1.3 InChI Key

YCADFOXVGUGHRV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

W5XZU6S762

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Terfenadone

2. 43076-30-8

3. 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one

4. Chembl205154

5. W5xzu6s762

6. 1-(4-(tert-butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one

7. 4'-tert-butyl-4-[4-(hydroxybenzhydryl)piperidino]butyrophenone

8. 1-(4-(1,1-dimethylethyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one

9. Einecs 256-074-1

10. 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-butanone

11. 1-(4-(1,1-dimethylethyl)phenyl)-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-butanone

12. 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-one (terfenadone)

13. Terfenadinone

14. Unii-w5xzu6s762

15. Mls006010685

16. Schembl11364486

17. Dtxsid90195676

18. Mdl 9917

19. Vuf 4590

20. Vuf-4590

21. Bdbm50183084

22. Zinc31982451

23. 1-butanone, 1-(4-(1,1-dimethylethyl)phenyl)-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-

24. Smr004701666

25. Terfenadine Impurity A [ep Impurity]

26. W-110981

27. 4'-tert-butyl-4-[4-(hydroxybenzhydryl)piperidino]putyrophenone

28. 4'-tert-butyl-4-[4-(hydroxydiphenylmethyl)piperidinyl]butyrophenone

29. 1-(4-(tert-butyl)phenyl)-4-(4-(hydroxydiphenylmethyl) Piperidin-1-yl)butan-1-one

30. 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]butan-1-one

31. 4'-tert-butyl-4-[4-(alpha-hydroxy-alpha-phenylbenzyl)piperidino]butyrophenone

32. 4-(4'-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one

33. Terfenadine Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₃₉NO₂
Molecular Weight	469.7 g/mol
XLogP3	6.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	40.5
Heavy Atom Count	35
Formal Charge	0
Complexity	621
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

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PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

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CAS Number

43076-61-5

End Use API

Terfenadine

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.

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