Shenzhen Hwagen Pharmaceutical

CAS 209860-88-8

Chemistry, 1 End Use API, 7 Related Intermediates

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Also known as: 209860-88-8, Tafluprost (free acid), Afp-172, Unii-wtv8epz396, Wtv8epz396, 5-heptenoic acid, 7-((1r,2r,3r,5s)-2-((1e)-3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-, (5z)-

Molecular Formula

C₂₂H₂₈F₂O₅

Molecular Weight

410.5 g/mol

InChI Key

KIQXRQVVYTYYAZ-VKVYFNERSA-N

FDA UNII

WTV8EPZ396

1 2D Structure

CAS 209860-88-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

2.1.2 InChI

InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1

2.1.3 InChI Key

KIQXRQVVYTYYAZ-VKVYFNERSA-N

2.1.4 Canonical SMILES

C1C(C(C(C1O)C=CC(COC2=CC=CC=C2)(F)F)CC=CCCCC(=O)O)O

2.1.5 Isomeric SMILES

C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/C(COC2=CC=CC=C2)(F)F)C/C=C\CCCC(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

WTV8EPZ396

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (5z)-7-((1r,2r, 3r,5s)-2-((1e)-3,3-difluoro-4-phenoxy -1-butenyl)-3,5-dihydroxycyclopentyl)-5-heptenoic Acid

2. 7-(2-(3,3-difluoro-4-phenoxy -1-butenyl)-3,5-dihydroxycyclopentyl)-5-heptenoic Acid

3. Afp-172

2.3.2 Depositor-Supplied Synonyms

1. 209860-88-8

2. Tafluprost (free Acid)

3. Afp-172

4. Unii-wtv8epz396

5. Wtv8epz396

6. 5-heptenoic Acid, 7-((1r,2r,3r,5s)-2-((1e)-3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-, (5z)-

7. (z)-7-((1r,2r,3r,5s)-2-((e)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoic Acid

8. 5-heptenoic Acid, 7-[(1r,2r,3r,5s)-2-[(1e)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, (5z)-

9. 9alpha,11alpha-dihydroxy-15,15-difluoro-16-phenoxy-17,18,19,20-tetranor-prosta-5z,13e-dien-1-oic Acid

10. Tafluprostacid

11. Taluprost Acid

12. Gtpl7452

13. Schembl5575658

14. Afp-175

15. Hms3649d22

16. (z)-7-[(1r,2r,3r,5s)-2-[(e)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic Acid

17. Amy30133

18. Ex-a4658

19. Hy-b0601

20. Zinc34059866

21. Bt179039

22. Cs-0092969

23. E72629

24. Sr-01000946706

25. J-502621

26. Sr-01000946706-1

27. Q27088924

28. (5e)-7-{2-[(1e)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic Acid

29. (5z)-7-((1r,2r,3r,5s)-2-((e)-3,3-difluoro-4-phenoxybut-1-enyl)-3,5-dihydroxycyclopentyl)hept-5-enoic Acid

30. (z)-7-((1r,2r,3r,5s)-2-((e)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-3,5-dihydroxy Cyclopentyl)hept-5-enoic Acid

31. (z)-7-((1r,2r,3r,s)-2-((e)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-3,5-dihydroxy Cyclopentyl)hept-5-enoic Acid

32. (z)-7-[(1r,2r,3r,5s)-2-[(e)-3,3-difluoro-4-(phenoxy)but-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic Acid

33. 16-phenoxy-15-deoxy-15,15-difluoro-17,18,19,20-tetranor-prostaglandin F2 Inverted Exclamation Marka

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₈F₂O₅
Molecular Weight	410.5 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	410.19048031 g/mol
Monoisotopic Mass	410.19048031 g/mol
Topological Polar Surface Area	87 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	557
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Dimethyl(2-oxo-3-phenoxypropyl)phosphonate

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CAS Number

40665-68-7

End Use API

Tafluprost

About the Company

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.

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