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Chemistry

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Also known as: 182760-06-1, Er-30346, Bms-207147, Er 30346, Bms 207147, Ravuconazole [inn]
Molecular Formula
C22H17F2N5OS
Molecular Weight
437.5  g/mol
InChI Key
OPAHEYNNJWPQPX-RCDICMHDSA-N
FDA UNII
95YH599JWV

Ravuconazole
Ravuconazole is a triazole with antifungal activity. Ravuconazole inhibits 14a demethylase, an enzyme involved in sterol synthesis, resulting in lysis of the fungal cell wall and fungal cell death. (NCI04)
1 2D Structure

Ravuconazole

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
2.1.2 InChI
InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
2.1.3 InChI Key
OPAHEYNNJWPQPX-RCDICMHDSA-N
2.1.4 Canonical SMILES
CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
2.1.5 Isomeric SMILES
C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
2.2 Other Identifiers
2.2.1 UNII
95YH599JWV
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol

2. Bms-207147

3. Er 30346

4. Er-30346

2.3.2 Depositor-Supplied Synonyms

1. 182760-06-1

2. Er-30346

3. Bms-207147

4. Er 30346

5. Bms 207147

6. Ravuconazole [inn]

7. 95yh599jwv

8. 4-[2-[(2r,3r)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile

9. 194798-96-4

10. P-(2-((alphar,betar)-2,4-difluoro-beta-hydroxy-alpha-methyl-beta-(1h-1,2,4-triazol-1-ylmethyl)phenethyl)-4-thiazolyl)benzonitrile

11. Rcz

12. 4-(2-((2r,3r)-rel-3-(2,4-difluorophenyl)-3-hydroxy-4-(1h-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile

13. 4-[2-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]thiazol-4-yl]benzonitrile

14. Benzonitrile, 4-[2-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-

15. Ravuconazol

16. Ravuconazolum

17. Unii-95yh599jwv

18. Benzonitrile, 4-(2-((1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)-

19. Ravuconazole (prop.inn)

20. Ravuconazole [mi]

21. Bms-207147/ravuconazole

22. Ravuconazole [mart.]

23. Ravuconazole [who-dd]

24. Schembl939026

25. Chembl294029

26. Dtxsid40171329

27. Chebi:143825

28. Zinc600547

29. Bcp05803

30. Ex-a3369

31. Bdbm50011476

32. Bms-20714

33. Mfcd00941002

34. Akos015962202

35. Bcp9000424

36. Cs-6927

37. Db06440

38. Bms-207,147

39. 3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol

40. 4-[2-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile

41. Hy-14272

42. D02556

43. A855884

44. Q7296826

45. Bms 207147;er 30346;bms207147;er30346;bms-207147;er-30346

46. (1r,2r)-4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-[1,2,4]triazol-1-yl-propyl]thiazol-4-yl]benzonitrile

47. (2r,3r)-3-[4-(4-cyanophenyl)thiazol-2-yl]-1-(1h-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-butan-2-ol

48. (2r,3r)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol

49. 4-(2-((2r,3r)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1h-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile

50. 4-[2-[(2r,3r)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)b Utan-2-yl]-1,3-thiazol-4-yl]benzonitrile

51. Benzonitrile, 4-[2-[(1r,2r)-2-(2,4-difluro-phenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-

52. Benzonitrile, 4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-, [r-(r*,r*)]-

2.4 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 437.5 g/mol
Molecular Formula C22H17F2N5OS
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass437.11218768 g/mol
Monoisotopic Mass437.11218768 g/mol
Topological Polar Surface Area116 Ų
Heavy Atom Count31
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Investigated for use/treatment in fungal infections, aspergillosis, candidiasis, and onychomycosis.


API SUPPLIERS

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01

Zhejiang Ausun Pharmaceutical

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

AES 2024
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02

Synergene Active Ingredients Pvt L...

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

AES 2024
Not Confirmed
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Listed Suppliers

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01

Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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Ravuconazole

About the Company : Synergene Active Ingredients Pvt.Ltd was incorporated in 2006 and commercial operations began in the same year. The Company is a manufacturer and supplier of Active Pharmaceuticals...

Synergene Active Ingredients Pvt.Ltd was incorporated in 2006 and commercial operations began in the same year. The Company is a manufacturer and supplier of Active Pharmaceuticals Ingredients (API'S) for wide range of therapeutic categories. Therapeutic segments of focus are Anti Fungals, Anti Depressants, and Anti Hypertensive. Synergene manufacturing facilities are cGMP compliant meeting global standards in terms of infrastructure and systems. The company has two manufacturing facilities located at Hyderabad & Vishakhapatnam manufacturing Active Pharmaceutical Ingredients and Intermediates.
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Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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Ravuconazole

About the Company : Founded in 2010, Ausun Pharmaceutical is a public company, specialized in high-tech. threshold Generic API Dev. & providing CDMO services. Ausun owns & operates 1 on-site R&D Cente...

Founded in 2010, Ausun Pharmaceutical is a public company, specialized in high-tech. threshold Generic API Dev. & providing CDMO services. Ausun owns & operates 1 on-site R&D Center & 1 Mfg. Site which has been certified by US FDA, JPMDA & EMA, supported by >550 highly trained professionals across departments & >200 scientists to bring high quality products to customers. More than 130 products/projects have been successfully developed since founded. Process Innovation, R&D Efficiency & Cost Effectiveness are Ausun's key competencies. Create Chemistry and to be the 1st Class Worldwide Pharmaceutical Corporation is our goal.
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API Reference Price

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Export","activeIngredients":"","year":"2022","qtr":"Q4","strtotime":1665945000,"product":"FOSRAVUCONAZOLE L-LYSINE ETHANOLATE","address":"PLOT NO.135, DR.NO.10-153\/1,","city":"VISAKHAPATNAM, ANDHRA PRADESH","supplier":"EISAI","supplierCountry":"INDIA","foreign_port":"NARITA APT\/TOKYO","customer":"EISAI","customerCountry":"JAPAN","quantity":"384.00","actualQuantity":"384","unit":"KGS","unitRateFc":"4647.6","totalValueFC":"1750302.1","currency":"USD","unitRateINR":375057.8671875,"date":"17-Oct-2022","totalValueINR":"144022221","totalValueInUsd":"1750302.1","indian_port":"Vizag-RPCIPL SEZ","hs_no":"29341000","bill_no":"4001361","productDescription":"API","marketType":"REGULATED MARKET","country":"JAPAN","selfForZScoreResived":"Pharma Grade","supplierPort":"Vizag-RPCIPL SEZ","supplierAddress":"PLOT NO.135, DR.NO.10-153\/1,, VISAKHAPATNAM, ANDHRA PRADESH","customerAddress":""},{"dataSource":"API 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06-Apr-2021
23-Mar-2023
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INTERMEDIATES SUPPLIERS

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01

Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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CAS Number : 372-18-9

End Use API : Ravuconazole

About The Company : Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, en...

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Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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CAS Number : 1443-80-7

End Use API : Ravuconazole

About The Company : Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufactu...

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