Montelukast alcohol

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Also known as: 142569-70-8, 287930-77-2, (s)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol, Montelukast alcohol, Ca9lm1i3ym, 2-[3-(s)-[3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]phenyl-2-propanol

Molecular Formula

C₂₉H₂₈ClNO₂

Molecular Weight

458.0 g/mol

InChI Key

ZSHIDKYITZZTLA-FCPABOFRSA-N

FDA UNII

CA9LM1I3YM

1 2D Structure

CAS 287930-77-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

2.1.2 InChI

InChI=1S/C29H28ClNO2/c1-29(2,33)26-9-4-3-7-21(26)13-17-28(32)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,28,32-33H,13,17H2,1-2H3/b15-10+/t28-/m0/s1

2.1.3 InChI Key

ZSHIDKYITZZTLA-FCPABOFRSA-N

2.1.4 Canonical SMILES

CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)O)O

2.1.5 Isomeric SMILES

CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)O)O

2.2 Other Identifiers

2.2.1 UNII

CA9LM1I3YM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 142569-70-8

2. 287930-77-2

3. (s)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

4. Montelukast Alcohol

5. Ca9lm1i3ym

6. 2-[3-(s)-[3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]phenyl-2-propanol

7. Montelukast (3s)-hydroxy Propanol

8. (1s)-1-[3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

9. (s,e)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

10. (1s)-1-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propan-1-ol

11. 2-(2-(3(s)-(3-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl-2-propanol

12. (s)-1-(3-((e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)-1-propanol

13. (1s)-1-[3-[(e)-2-(7-chloro-2-quinolyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propan-1-ol

14. (1s)-1-{3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

15. (alphas)-alpha-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)benzenepropanol

16. (alphas)-alpha-[3-[(1e)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol

17. (s)-1-[3-[(e)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanol

18. Benzenepropanol, Alpha-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)-, (alphas)-

19. Benzenepropanol, Alpha-[3-[(1e)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (alphas)-

20. Unii-ca9lm1i3ym

21. Schembl201920

22. Schembl201921

23. Montelukast Sodium Intermediate Mk5

24. Mfcd09038584

25. Zinc21297983

26. Akos015896143

27. Cs-w009644

28. Ds-1367

29. Benzenepropanol,a-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (s)-

30. D70533

31. 569c708

32. J-505415

33. J-507648

34. (.alpha.s)-.alpha.-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)benzenepropanol

35. (1s)-1-[3-[(e)-2-(7-chloro-(s)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

36. (alphas)-alpha-[2-(1-hydroxy-1-methylethyl)phenethyl]-3-[2-(7-chloro-2-quinolinyl)vinyl]benzenemethanol

37. (s)-1-[3-[2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(2-hydroxy-2-propyl)phenyl]-1-propanol

38. (s)-alpha-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol

39. 2-(2-(3(s)-(3-(2-(7-chloro-2-quinolinyl)-ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol

40. 2-(2-(3(s)-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)- 3-hydroxypropyl)phenyl)-2-propanol

41. Benzenepropanol, .alpha.-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)-, (.alpha.s)-

42. Benzenepropanol,

43. A-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (

44. As)-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₂₈ClNO₂
Molecular Weight	458.0 g/mol
XLogP3	6.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	457.1808568 g/mol
Monoisotopic Mass	457.1808568 g/mol
Topological Polar Surface Area	53.4 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	637
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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01 Aarti Pharmalabs

India

CPhI North America

Booth #1636

Aarti Pharmalabs is a partner of choice for pharmaceutical companies for APIs & Intermediates. Largest Indian producer of Caffeine.

2-[2-[3(S)-3[2-(7-chloro-2-quinolinyl) ethenyl] ph...

CAS Number : 142569-70-8

End Use API : Montelukast Sodium

02 Zeon Pharma Industries India Pvt Ltd

India

IMCAS World Congress

Not Confirmed

Zeon Pharma is a manufacturer and supplier of APIs & Intermediates.

2-(2-[3(S)-[2-(7-Chloro 2quiolinyl ethnyl)Phenyl}3...

CAS Number : 287930-77-2

End Use API : Montelukast Sodium

03 Zeon Pharma Industries India Pvt Ltd

India

IMCAS World Congress

Not Confirmed

Zeon Pharma is a manufacturer and supplier of APIs & Intermediates.

2-[3(S)-[3-[2-(7-Chloroquinoline-2-yl) Ethenyl]Phe...

CAS Number : 142569-70-8

End Use API : Venlafaxine

04 Rampex Labs

India

CPhI China

Attending

Rampex Labs – Simplifying Synthesis with Innovation, Quality, and Commitment to Global Pharmaceutical Excellence.

2-[2-[3(S)-3[2-(7-chloro-2-quinolinyl) ethenyl] ph...

CAS Number : 142569-70-8

End Use API : Montelukast Sodium

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2-(2-(3(S)-(3-(2-(7-Chloro-2- quinolinyl)ethenyl)p...

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END USE APIs

01

Montelukast Sodium

Shamrock Pharmachemi

India

Together we can improve the quality of life

Zeon Pharma Industries In...

India

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Jai Radhe Sales

India

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Minakem (formerly Delmar ...

Canada

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Inke S.A

Spain

Inke S.A: APIs manufacturing plant.

LGM Pharma

U.S.A

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

02

Moxifloxacin

Global Pharma Healthcare

India

Global Pharma Healthcare: Setting the global benchmark in quality, innovation, and care

Cerata Pharmaceuticals LL...

India

Cerata Pharmaceuticals LLP: WHO-GMP Certified Leading Manufacturer & Exporter of Steroid-Hormone & Peptide APIs From India.

India

India

Germany

03

Venlafaxine

LGM Pharma

U.S.A

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Metrochem API Private Lim...

India

Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

Jai Radhe Sales

India

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

Zeal Medipharma

India

Delivering Quality APIs, Drug Intermediates, and Specialty Chemicals to Over 50 Countries Across the Globe.

Anwita Drugs

India

Aptra Synthesis

India

Aptra Synthesis produces APIs, Pellets (Semi-finished Formulations), and Intermediates.

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CHEMISTRY

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BUILDING BLOCK

12 Suppliers

12 End Use APIs

55 Related Intermediates

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