Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 209414-27-7, (s)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol, Efavirenz aminoalcohol, Efavirenz related compound a, (2s)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol, 154598-58-0

Molecular Formula

C₁₃H₁₁ClF₃NO

Molecular Weight

289.68 g/mol

InChI Key

KEMUGFRERPPUHB-LBPRGKRZSA-N

FDA UNII

Z3E01963ZY

1 2D Structure

Efavirenz Aminoalcohol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol

2.1.2 InChI

InChI=1S/C13H11ClF3NO/c14-9-3-4-11(18)10(7-9)12(19,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,19H,1-2,18H2/t12-/m0/s1

2.1.3 InChI Key

KEMUGFRERPPUHB-LBPRGKRZSA-N

2.1.4 Canonical SMILES

C1CC1C#CC(C2=C(C=CC(=C2)Cl)N)(C(F)(F)F)O

2.1.5 Isomeric SMILES

C1CC1C#C[C@](C2=C(C=CC(=C2)Cl)N)(C(F)(F)F)O

2.2 Other Identifiers

2.2.1 UNII

Z3E01963ZY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 209414-27-7

2. (s)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol

3. Efavirenz Aminoalcohol

4. Efavirenz Related Compound A

5. (2s)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol

6. 154598-58-0

7. (s)-2-(2-amino-5-chloro-phenyl)-4-cyclopropyl-1,1,1-trifluoro-but-3-yn-2-ol

8. Z3e01963zy

9. Efavirenz Impurity E

10. Schembl524307

11. Unii-z3e01963zy

12. Chembl3344471

13. Dtxsid30175119

14. (-)-efavirenz Aminoalcohol

15. Bcp28777

16. Mfcd09751012

17. Sd-573

18. Zinc22054357

19. Akos016003800

20. Sb35277

21. (s)-5-chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl)benzenemethanol

22. As-10054

23. Cs-0341179

24. Efavirenz Aminoalcohol [usp Impurity]

25. Efavirenz Related Compound A [usp-rs]

26. E80376

27. 414a277

28. A815040

29. Efavirenz Impurity, Efavirenz Aminoalcohola-

30. J-502340

31. Q27294946

32. (s)-1,1,1-trifluoro-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-3-butyne-2-ol

33. (s)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol

34. (s)-4-chloro-2-(4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl) Aniline

35. (s)-4-chloro-2-(4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)aniline

36. (s)-5-chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl) Benzenemethanol

37. (s)-5-chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl)-benzenemethanol

38. (s)-5-chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl)benzene Methanol

39. 1-(2-amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol

40. (.alpha.s)-2-amino-5-chloro-.alpha.-(cyclopropylethynyl)-.alpha.-(trifluoromethyl)benzenemethanol

41. Benzenemethanol, 2-amino-5-chloro-.alpha.-(2-cyclopropylethynyl)-.alpha.-(trifluoromethyl)-, (.alpha.s)-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₁ClF₃NO
Molecular Weight	289.68 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	289.0481262 g/mol
Monoisotopic Mass	289.0481262 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	409
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1