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Product Overview

Product Code

TRC-C988610

CAS Number

254452-88-5

Product Format

Neat

Molecular Formula

C25H24FNO4 .1/2Ca

Molecular Weight

440.49

API Family

Pitavastatin Acid

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Alternate CAS Number

Free Acid: 254452-86-3

Documentation

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Product Information

Chemical Data

Analyte Name

(3S,5R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic Acid Calcium Salt

CAS Number

254452-88-5

Molecular Formula

C25H24FNO4 .1/2Ca

Molecular Weight

440.49

Accurate Mass

880.2848

SMILES

[Ca+2].O[C@@H](C[C@@H](O)\C=C\c1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)[O-].O[C@@H](C[C@@H](O)\C=C\c5c(nc6ccccc6c5c7ccc(F)cc7)C8CC8)CC(=O)[O-]

InChI

InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m0/s1

IUPAC

(E,3S,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid

Alternate CAS Number

Free Acid: 254452-86-3

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Pitavastatin Acid

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Chemical Data

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(3S,5R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic Acid Calcium Salt

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