Atorvastatin allyl ester

CAS
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CAS
915092-85-2
Size
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Purity
96%
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Catalog Number

ACM915092852

Product Name

Atorvastatin allyl ester

Structure

Structure

CAS

915092-85-2

Category

Heterocyclic Organic Compound

Synonyms

2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 2-Propenyl Ester; (βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 2-Propen-1-yl Ester;

IUPAC Name

prop-2-enyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Molecular Weight

598.70

Molecular Formula

C₃₆H₃₉FN₂O₅

InChI Key

UCJZSDSELLJXGC-LOYHVIPDSA-N

Exact Mass

598.28400

H-Bond Acceptor

6

H-Bond Donor

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Atorvastatin allyl ester?

The molecular formula of Atorvastatin allyl ester is C36H39FN2O5.

When was Atorvastatin allyl ester created and modified?

Atorvastatin allyl ester was created on December 1, 2012, and last modified on December 30, 2023.

What is the IUPAC name of Atorvastatin allyl ester?

The IUPAC name of Atorvastatin allyl ester is prop-2-enyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate.

What is the InChI of Atorvastatin allyl ester?

The InChI of Atorvastatin allyl ester is InChI=1S/C36H39FN2O5/c1-4-21-44-31(42)23-30(41)22-29(40)19-20-39-34(24(2)3)33(36(43)38-28-13-9-6-10-14-28)32(25-11-7-5-8-12-25)35(39)26-15-17-27(37)18-16-26/h4-18,24,29-30,40-41H,1,19-23H2,2-3H3,(H,38,43)/t29-,30-/m1/s1.

What is the molecular weight of Atorvastatin allyl ester?

The molecular weight of Atorvastatin allyl ester is 598.7 g/mol.

What is the CAS number of Atorvastatin allyl ester?

The CAS number of Atorvastatin allyl ester is 915092-85-2.

What is the ChEMBL ID of Atorvastatin allyl ester?

The ChEMBL ID of Atorvastatin allyl ester is CHEMBL3753688.

How many hydrogen bond donor counts does Atorvastatin allyl ester have?

Atorvastatin allyl ester has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Atorvastatin allyl ester have?

Atorvastatin allyl ester has 6 hydrogen bond acceptor counts.

How many rotatable bond counts does Atorvastatin allyl ester have?

Atorvastatin allyl ester has 15 rotatable bond counts.

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