CAS 393825-04-2

sodium (E,5S)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-5-hydroxy-hept-2-enoate

Description:

The chemical substance with the name "sodium (E,5S)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-5-hydroxy-hept-2-enoate" and CAS number 393825-04-2 is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a sodium salt form, indicating it is soluble in water and may exhibit ionic properties. The presence of a hept-2-enoate moiety suggests it has unsaturation, which can influence its reactivity and potential applications in organic synthesis or as a pharmaceutical agent. The compound's structure includes multiple chiral centers, contributing to its stereochemical complexity, which may affect its biological activity and interactions with other molecules. Additionally, the presence of a hydroxy group and an ester linkage indicates potential for hydrogen bonding and reactivity, making it a candidate for various chemical reactions. Overall, this compound's unique structural features may confer specific properties that are of interest in medicinal chemistry or materials science.

Formula: C₂₅H₃₇NaO₅

InChI: InChI=1/C25H38O5.Na/c1-6-25(4,5)24(29)30-21-15-16(2)14-18-11-10-17(3)20(23(18)21)13-12-19(26)8-7-9-22(27)28;/h7,9-11,14,16-17,19-21,23,26H,6,8,12-13,15H2,1-5H3,(H,27,28);/q;+1/p-1/b9-7+;/t16-,17-,19+,20-,21-,23-;/m0./s1

SMILES: CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(CC=CC(=O)O)O)C12.[Na]

Simvastatin Impurity 16

CAS: 393825-04-2

Formula: C₂₅H₃₇O₅·Na

Molecular weight: 417.57 22.99

Ref: 4Z-S-1245

2,3-Dehydro Simvastatin Acid Sodium Salt

Controlled Product

CAS: 393825-04-2

Applications An impurity arising in the synthesis of Simvastatin.

Formula: C₂₅H₃₇O₅·Na

Color and Shape: Neat

Molecular weight: 440.55

Ref: TR-D230550

(2E,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-2,6-dimethyl-1-naphthalenyl]-5-hydroxy-2-heptenoic acid sodium salt

CAS: 393825-04-2

(2E,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-2,6-dimethyl-1-naphthalenyl]-5-hydroxy-2-heptenoic acid sodium salt is a synthetic drug product. It is an impurity in a pharmaceutical API (Active Pharmaceutical Ingredient). The chemical name of the product is 7-[(1S*,2S*,6R*,8S*,8aR*)-8-(2,2-Dimethyl-1 oxobutoxy)-1, 2 6 7 8 8a 1 -hexahydro 2 6 -dimethyl 1 -naphthalenyl]-5 hydroxy 2 heptenoic acid sodium salt. It has the following CAS Number: 39

Formula: C₂₅H₃₇NaO₅

Purity: Min. 95%

Molecular weight: 440.55 g/mol

Ref: 3D-ID20949

Simvastatin Anhydro Acid

CAS: 393825-04-2

Formula: C₂₅H₃₇NaO₅

Molecular weight: 440.57

Ref: ST-EA-CP-S4017