Sanpra Synthesis

CAS 103146-26-5

Chemistry, 3 End Use API, 42 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

Also known as: 103146-26-5, Citadiol hydrobromide, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide, 5g2rc58g1k, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile monohydrobromide, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;hydrobromide

Molecular Formula

C₂₀H₂₄BrFN₂O₂

Molecular Weight

423.3 g/mol

InChI Key

RVGFHORHCHHPCZ-UHFFFAOYSA-N

FDA UNII

5G2RC58G1K

1 2D Structure

CAS 103146-26-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C20H23FN2O2.BrH/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;1H

2.1.3 InChI Key

RVGFHORHCHHPCZ-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.Br

2.2 Other Identifiers

2.2.1 UNII

5G2RC58G1K

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 103146-26-5

2. Citadiol Hydrobromide

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

4. 5g2rc58g1k

5. 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Monohydrobromide

6. 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;hydrobromide

7. Benzonitrile, 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)-, Hydrobromide (1:1)

8. 4-[4-(dimethylamino)-1-(4'-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

9. Citadiol Hydrobromide (4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Hydrobromide)

10. C20h24brfn2o2

11. Unii-5g2rc58g1k

12. Citadiol Hbr

13. Schembl3623042

14. Dtxsid60582039

15. Amy40957

16. Bcp14000

17. Mfcd08436978

18. Akos015918319

19. Ac-5999

20. Ac-27034

21. As-15377

22. Cs-0144225

23. Ft-0658033

24. D78142

25. 146d265

26. A855311

27. Q27262055

28. 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile Hbr

29. (r)-4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile Hydrobromide;citadiol Hbr

30. 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrilehydrobromide

31. 4-[4-(dimethylamino)-1-(4-fluoro-phenyl)-1-hydroxy-butyl]-3-hydroxymethyl-benzonitrile Hydrobromide

32. 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl) Benzonitrile Hydrobromide

33. 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Monohydrobromide

34. 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile,monohydrobromide

35. 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile--hydrogen Bromide (1/1)

2.4 Create Date

2007-06-18

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄BrFN₂O₂
Molecular Weight	423.3 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	422.10052 g/mol
Monoisotopic Mass	422.10052 g/mol
Topological Polar Surface Area	67.5 Å²
Heavy Atom Count	26
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	2

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

4-Fluoro Phenyl Magnesium Bromide 1.0 M in THF

PDF Supplier PDF

URL Supplier Web Content

CAS Number

352-13-6

End Use API

Citalopram

About the Company

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.

ASK
US