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Also known as: 149809-43-8, Ldy4qzp8pb, [(3s,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate, ((3s,5r)-5-((1h-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate, ((3s,5r)-5-((1h-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate, 2,5-anhydro-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1h-1,2,4-triazol-1-yl)-d-threo-pentitol
Molecular Formula
C21H21F2N3O4S
Molecular Weight
449.5  g/mol
InChI Key
DFWVLCJRFGIRAK-KKSFZXQISA-N
FDA UNII
LDY4QZP8PB

CAS 149809-43-8
1 2D Structure

CAS 149809-43-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate
2.1.2 InChI
InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-14-24-13-25-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21-/m0/s1
2.1.3 InChI Key
DFWVLCJRFGIRAK-KKSFZXQISA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F
2.1.5 Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C[C@](OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F
2.2 Other Identifiers
2.2.1 UNII
LDY4QZP8PB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 149809-43-8

2. Ldy4qzp8pb

3. [(3s,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate

4. ((3s,5r)-5-((1h-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate

5. ((3s,5r)-5-((1h-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate

6. 2,5-anhydro-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1h-1,2,4-triazol-1-yl)-d-threo-pentitol

7. D-threo-pentitol, 2,5-anhydro-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1h-1,2,4-triazol-1-yl)-

8. ((3r,5r)-5-((1h-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate

9. (5r-cis)-toluene-4-sulfonic Acid 5-(2,4-difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester

10. (5r-cis)-toluene-4-sulfonic Acid 5-(2,4-difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3

11. D-threo-pentitol, 2,5-anhydro-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-4-((((4-methylphenyl)sulfonyl)oxy)methyl)-1-(1h-1,2,4-triazol-1-yl)-

12. 2,5-anhydro-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-4-((((4-methylphenyl)sulfonyl)oxy)methyl)-1-(1h-1,2,4-triazol-1-yl)-d-threo-pentitol

13. Unii-ldy4qzp8pb

14. Schembl12067228

15. Dtxsid70447488

16. (3s,5r)-5-(2,4-difluorophenyl)-5-[(1h-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl P-toluenesulfonate

17. Cs-m2899

18. P-toluenesulfonic Acid (3s,5r)-5-(2,4-difluorophenyl)-5-[(1h-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl Ester

19. Mfcd27920559

20. Zinc44460315

21. Akos025402355

22. Ac-8330

23. As-47912

24. Cid 10895629

25. 1-ylmethyltetrahydrofuran-3-ylmethyl Ester

26. D4537

27. F16788

28. J-501622

29. (5r-cis)-toluene-4-sulfonic Acid 5-(2,4-difluorophenyl)-5-[1,2,4]triazol-

30. ((3s,5r)-5-((1h-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluoro Phenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate

31. ((3s,5r)-5-((1h-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl-4-methylbenzenesulfonate

32. {(3s,5r)-5-(2,4-difluorophenyl)-5-[(1h-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate

33. 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[(4-methylbenzene-1-sulfonyl)oxy]methyl}-1-(1h-1,2,4-triazol-1-yl)-d-threo-pentitol

34. P-toluenesulfonic Acid [5-(2,4-difluorophenyl)-5beta-(1h-1,2,4-triazol-1-ylmethyl)tetrahydrofuran]-3beta-ylmethyl Ester

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 449.5 g/mol
Molecular Formula C21H21F2N3O4S
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass449.12208366 g/mol
Monoisotopic Mass449.12208366 g/mol
Topological Polar Surface Area91.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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01

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

(5R-cis)-toluene-4-sulfonic acid 5-(2,4-difluoroph...

CAS Number : 149809-43-8

End Use API :

About the Company : ​Headquartered in Fengxian District, Shanghai Minbiotech Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. Th...

Shanghai Minbiotech CB

02

Amara Labs

India
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(5R-CIS)-TOLUENE-4-SULFONIC ACID 5-(2,4- DIFLUOROP...

CAS Number : 149809-43-8

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About the Company : Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Myl...

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03

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Posaconazole Intermediate A

CAS Number : 149809-43-8

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About the Company : We are CDMO engaged in drug impurities research, customed synthesis for almost 10 years. In addition, we establish a long-term in-depth partnerships with many worldwide pharma, especial...

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04

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(5R-Cis)-Toluene-4-Sulfonic Acid 5-(2,4-Difluoroph...

CAS Number : 149809-43-8

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About the Company : Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Com...

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05

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(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluoroph...

CAS Number : 149809-43-8

End Use API :

About the Company : Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufacturer with integrated R&D, production and individual sale. Ouya Biological Compa...

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06

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p-Toluenesulfonic Acid (3S,5R)-5-(2,4- Difluorophe...

CAS Number : 149809-43-8

End Use API :

About the Company : Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredie...

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(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluoroph...

CAS Number : 149809-43-8

End Use API :

About the Company : Sandoo Pharmaceuticals and Chemcials Co.,Ltd was established in 2009, with a young and active team, located in Ningbo, China. Specializes in exporting and importing pharmaceutical int...

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Vio Chemicals

Switzerland
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(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluoroph...

CAS Number : 149809-43-8

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About the Company : A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technolo...

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DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

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HRV Global Life Sciences - Market Expansion Leader in Pharmaceuticals.

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