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2D Structure
Also known as: 156715-37-6, Ifetroban sodium [usan], Bms-180291-02, Unii-48ija0e92c, 48ija0e92c, Ifetroban sodium (usan)
Molecular Formula
C25H31N2NaO5
Molecular Weight
462.5  g/mol
InChI Key
WOHSQDNIXPEQAE-QBKVZTCDSA-M
FDA UNII
48IJA0E92C

IFETROBAN SODIUM is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 3 investigational indications.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate
2.1.2 InChI
InChI=1S/C25H32N2O5.Na/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29;/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29);/q;+1/p-1/t18-,20-,21+,23-;/m0./s1
2.1.3 InChI Key
WOHSQDNIXPEQAE-QBKVZTCDSA-M
2.2 Other Identifiers
2.2.1 UNII
48IJA0E92C
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 156715-37-6

2. Ifetroban Sodium [usan]

3. Bms-180291-02

4. Unii-48ija0e92c

5. 48ija0e92c

6. Ifetroban Sodium (usan)

7. Benzenepropanoic Acid, 2-((3-(4-((pentylamino)carbonyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)-, Monosodium Salt, (1s-(exo,exo))-

8. Sodium O-(((1s,2r,3s,4r)-3-(4-(pentylcarbamoyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)hydrocinnamate

9. Sodium O-[[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]hydrocinnamate

10. Ifetroban (sodium)

11. Sodium;3-[2-[[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate

12. Bms-180291 Sodium Salt

13. Schembl3253650

14. Chembl3301674

15. Dtxsid40935504

16. Wohsqdnixpeqae-qbkvztcdsa-m

17. Ifetroban Sodium, >=98% (hplc)

18. Hy-105218a

19. Da-54258

20. Cs-0025380

21. Q27259142

22. 2-[[(1s,2r,3s,4r)-3-[4-[(pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]-benzenepropanoic Acid Sodium Salt

23. Sodium 3-{2-[(3-{4-[hydroxy(pentylimino)methyl]-1,3-oxazol-2-yl}-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}propanoate

2.3.2 Other Synonyms

1. Ifetroban

2. 143443-90-7

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 462.5 g/mol
Molecular Formula C25H31N2NaO5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area104
Heavy Atom Count33
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2