129332-29-2

Chemistry, 1 End Use API, 1 Related Intermediates

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1 Suppliers

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 Formula	C₂₈H₃₄FNO₄
Molecular Weight	467.6 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	467.24718673 g/mol
Monoisotopic Mass	467.24718673 g/mol
Topological Polar Surface Area	71.7 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	682
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

129332-29-2

End Use API

Fluvastatin

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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