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CAS 129332-29-2 manufacturers and suppliers on PharmaCompass

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129332-29-2
Also known as: 129332-29-2, Fluvastatin tert-butyl ester, Tert-butyl (e)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate, Fluvastatin related compound b, Schembl557746, Schembl557747
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. Fluvastatin Tert-butyl Ester

3. Tert-butyl (e)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate

4. Fluvastatin Related Compound B

5. Schembl557746

6. Schembl557747

7. 1,1-dimethylethyl (3rs,5sr,6e)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoate (fluvastatin Tert-butyl Ester)

8. Bcp14255

9. Akos015897007

10. Ac-6853

11. 934t968

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

13. 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2-yl]-3,5-dihydroxy-6-heptenoic Acid 1,1-dimethylethyl Ester

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

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

16. 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 Mass467.24718673 g/mol
Monoisotopic Mass467.24718673 g/mol
Topological Polar Surface Area71.7 Ų
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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