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Also known as: 885477-83-8, [[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]triphenylphosphonium bromide, [4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]methyl-triphenylphosphanium;bromide, ((4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)-pyrimidin-5-yl)methyl)triphenylphosphonium bromide, Phosphonium, [[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]triphenyl-, bromide, Rosuvastatin triphenylphosphonium bromide
Molecular Formula
C34H34BrFN3O2PS
Molecular Weight
678.6  g/mol
InChI Key
GGEHQGAHLWFTET-UHFFFAOYSA-M

CAS 885477-83-8
1 2D Structure

CAS 885477-83-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]methyl-triphenylphosphanium;bromide
2.1.2 InChI
InChI=1S/C34H34FN3O2PS.BrH/c1-25(2)32-31(33(26-20-22-27(35)23-21-26)37-34(36-32)38(3)42(4,39)40)24-41(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30;/h5-23,25H,24H2,1-4H3;1H/q+1;/p-1
2.1.3 InChI Key
GGEHQGAHLWFTET-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC(C)C1=NC(=NC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F)N(C)S(=O)(=O)C.[Br-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 885477-83-8

2. [[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]triphenylphosphonium Bromide

3. [4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]methyl-triphenylphosphanium;bromide

4. ((4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)-pyrimidin-5-yl)methyl)triphenylphosphonium Bromide

5. Phosphonium, [[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]triphenyl-, Bromide

6. Rosuvastatin Triphenylphosphonium Bromide

7. Schembl426278

8. Amy3281

9. Dtxsid70459687

10. Bcp10930

11. Mfcd12911893

12. Akos015896420

13. [4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]methyl-triphenylphosphanium,bromide

14. Ac-30583

15. Phosphonium, [[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]me

16. Cs-0154307

17. Ft-0656492

18. A24856

19. D82377

20. ((4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidin-5-yl)methyl)triphenylphosphoniumbromide

21. {[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]methyl}(triphenyl)phosphanium Bromide

22. Triphenyl[4-(4-fluorophenyl)-6-isopropyl-2-[(2-n-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methyl]phosphine Bromine

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 678.6 g/mol
Molecular Formula C34H34BrFN3O2PS
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass677.12768 g/mol
Monoisotopic Mass677.12768 g/mol
Topological Polar Surface Area71.5 Ų
Heavy Atom Count43
Formal Charge0
Complexity889
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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