CAS 190595-65-4

Interquim comes from an international group of 50 companies active in the pharma, hospital, diagnostics, fine chemicals & feed sectors.

Virtual Booth

Contact Supplier

Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 190595-65-4, (3r,4s)-4-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one, (3r,4s)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one, Ezetimibe ketone benzyl ether, (3r4s)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one, C31h25f2no3

Molecular Formula

C₃₁H₂₅F₂NO₃

Molecular Weight

497.5 g/mol

InChI Key

BVYNXBNCXPJQCW-PQHLKRTFSA-N

1 2D Structure

CAS 190595-65-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one

2.1.2 InChI

InChI=1S/C31H25F2NO3/c32-24-10-6-22(7-11-24)29(35)19-18-28-30(34(31(28)36)26-14-12-25(33)13-15-26)23-8-16-27(17-9-23)37-20-21-4-2-1-3-5-21/h1-17,28,30H,18-20H2/t28-,30-/m1/s1

2.1.3 InChI Key

BVYNXBNCXPJQCW-PQHLKRTFSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(C(=O)N3C4=CC=C(C=C4)F)CCC(=O)C5=CC=C(C=C5)F

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CCC(=O)C5=CC=C(C=C5)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 190595-65-4

2. (3r,4s)-4-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one

3. (3r,4s)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one

4. Ezetimibe Ketone Benzyl Ether

5. (3r4s)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one

6. C31h25f2no3

7. (3r,4s)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one

8. (3r,4s)-4-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one; 2-azetidinone, 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-[4-(phenylmethoxy)phenyl]-, (3r,4s)-; -azetidinone, 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-[4-(phenylmethoxy)phenyl]-, (3r-trans)-; Ezetimibe Ketone Methyl Ether

9. Chembl177509

10. Schembl2044962

11. Dtxsid00443913

12. Bvynxbncxpjqcw-pqhlkrtfsa-n

13. Mfcd13185976

14. Akos015907695

15. Ac-8740

16. Am84654

17. Ds-18254

18. Db-327763

19. Cs-0140351

20. A813415

21. (3r,4s)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-benzyloxyphenyl)-2-azetidinone

22. (3r,4s)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-azetidin-2-one

23. 1-(4-fluorophenyl)-3(r)-(3-(4-fluorophenyl)-3-oxopropyl)-4(s)-(4-benzyloxyphenyl)-2-azetidinone

24. 4(s)-(4-benzyloxyphenyl)-1-(4-fluorophenyl)-3(r)-[3-(4-fluorophenyl)-3-oxopropyl]-azetidine-2-one

25. 4-(4-benzyloxyphenyl)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxo-propyl]azetidin-2-one;(3r,4s)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one

26. 928045-10-7

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₁H₂₅F₂NO₃
Molecular Weight	497.5 g/mol
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	46.6
Heavy Atom Count	37
Formal Charge	0
Complexity	748
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 190595-65-4 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?