Kekule Pharma

CAS 103146-25-4

Chemistry, 3 End Use API, 42 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

Also known as: 103146-25-4, 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile, Citadiol, (+/-)-citadiol, Citadiol, (+/-)-, 2fz7ld4b44

Molecular Formula

C₂₀H₂₃FN₂O₂

Molecular Weight

342.4 g/mol

InChI Key

GNULRNVWXYXBQY-UHFFFAOYSA-N

FDA UNII

2FZ7LD4B44

1 2D Structure

CAS 103146-25-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

2.1.2 InChI

InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3

2.1.3 InChI Key

GNULRNVWXYXBQY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O

2.2 Other Identifiers

2.2.1 UNII

2FZ7LD4B44

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Citadiol

2. Ctd Compound

2.3.2 Depositor-Supplied Synonyms

1. 103146-25-4

2. 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile

3. Citadiol

4. (+/-)-citadiol

5. Citadiol, (+/-)-

6. 2fz7ld4b44

7. 4-(4-(dimethylamino)-1-(4'-fluorophenyl)-1-(hydroxy)butyl)-3-(hydroxymethyl)benzonitrile

8. 4-(4-dimethylamino-1-(4'-fluorophenyl)-1-hydroxy-1-butyl)-3-hydroxymethyl Benzonitrile

9. Benzonitrile, 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)-

10. Unii-2fz7ld4b44

11. Schembl679

12. Ec 430-780-1

13. Ar-011/42531550

14. Citalopram Related Compound Ii

15. Dtxsid60908215

16. Bcp14008

17. Mfcd06795501

18. Akos015896132

19. (r,s)-4-(4-dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile

20. Ac-27033

21. Bs-14320

22. Db-070955

23. Cs-0198841

24. Ft-0651613

25. Ft-0773664

26. D94866

27. 146d254

28. A800683

29. Q27254689

30. 3-(hydroxymethyl)-4-[1-hydroxy-1-(4-fluorophenyl)-4-(dimethylamino)butyl]benzonitrile

31. 4-[(4-dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxylmethyl)-benzonitrile

32. (rs)-(+) 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxymethyl)-benzonitrile

33. (rs)-(+/-)4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxymethyl)-benzonitrile

34. 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-oxidanyl-butyl]-3-(hydroxymethyl)benzenecarbonitrile

35. Benzonitrile,4-[(1s)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-

36. Citalopram Hydrobromide Impurity, 4-(4-dimethylamino-1-(4'-fluorophenyl)-1-hydroxy-1-butyl)-3-hydroxymethyl Benzonitrile- [usp Impurity]

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₃FN₂O₂
Molecular Weight	342.4 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	342.17435614 g/mol
Monoisotopic Mass	342.17435614 g/mol
Topological Polar Surface Area	67.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	456
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

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

India

Virtual Booth

Digital Content

1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitr...

PDF Supplier PDF

URL Supplier Web Content

CAS Number

64169-67-1

End Use API

Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many...

Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many complex molecules requiring multistage synthesis. Working with customers across the world, Kekule has always leveraged its strengths in basic chemistry as well as chemical engineering to deliver high quality APIs and Intermediates in time and at competitive prices. Our value based approach to business has been a foundation for a mutually beneficial long term relationship with our customers. Our employees, technology and infrastructure match the highest international standards.

ASK
US