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Overview

Client Email Product
129332-29-2
PharmaCompass
129332-29-2
Also known as: 129332-29-2, Tert-butyl (e)-3,5-d, Schembl557746, Schembl557747, C28h34fno4, Fluvastatin sodium intermediate f4
Molecular Formula
C28H34FNO4
Molecular Weight
467.6  g/mol
InChI Key
USGKHYXJISAYPE-CCEZHUSRSA-N

1 2D Structure

129332-29-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate
2.1.2 InChI
InChI=1S/C28H34FNO4/c1-18(2)30-24-9-7-6-8-23(24)27(19-10-12-20(29)13-11-19)25(30)15-14-21(31)16-22(32)17-26(33)34-28(3,4)5/h6-15,18,21-22,31-32H,16-17H2,1-5H3/b15-14+
2.1.3 InChI Key
USGKHYXJISAYPE-CCEZHUSRSA-N
2.1.4 Canonical SMILES
CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)OC(C)(C)C)O)O)C3=CC=C(C=C3)F
2.1.5 Isomeric SMILES
CC(C)N1C2=CC=CC=C2C(=C1/C=C/C(CC(CC(=O)OC(C)(C)C)O)O)C3=CC=C(C=C3)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 129332-29-2

2. Tert-butyl (e)-3,5-d

3. Schembl557746

4. Schembl557747

5. C28h34fno4

6. Fluvastatin Sodium Intermediate F4

7. Bcp14255

8. Akos015897007

9. Ac-6853

10. An-9580

11. I947

12. Tert-butyl (e)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-methylethyl-indol-2'-yl]-6-heptenoate

13. 934t968

14. I06-2660

15. (4-amino-1-hydroxybutylidene) Bisphosphonic Acid Monosodium Salt

16. Sodium 4-amino-1-hydroxy-1-phosphonobutane-1-phosphonate

17. T-butyl(e)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-methylethyl-indol-2'-yl]-6-

18. Tert-butyl (e)-7-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]-3,5-dihydroxy-hept-6-enoate

19. (6e)-7-{3-[1-(4-fluorophenyl)propan-2-yl]-1h-indol-2-yl}-3,5-dihydroxy-8,8-dimethylnon-6-enoate

20. 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2-yl]-3,5-dihydroxy-6-heptenoic Acid 1,1-dimethylethyl Ester

21. Tbbutyl(e)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-methylethyl-indol-2'-yl]-6-heptenoate

22. Tert-butyl (e)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-methylethylindol-2'-yl)hept-6-enoate

23. Tert-butyl (e)-3,5-dihydroxy-7-[3\'-(4\'\'-fluorophenyl)-1\'-methylethyl-indol-2\'-yl]-6-heptenoate

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 467.6 g/mol
Molecular Formula C28H34FNO4
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass467.247187 g/mol
Monoisotopic Mass467.247187 g/mol
Topological Polar Surface Area71.7
Heavy Atom Count34
Formal Charge0
Complexity682
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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