Atorvastatin calcium trihydrate

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MedKoo CAT#: 317257

CAS#: 344423-98-9 (calcium trihydrate)

Description: Atorvastatin is used primarily for lowering blood cholesterol and for prevention of events associated with cardiovascular disease. Like all statins, atorvastatin works by inhibiting HMG-CoA reductase, an enzyme found in liver tissue that plays a key role in production of cholesterol in the body.Atorvastatin is also used for the treatment of dyslipidemia.

Chemical Structure

Atorvastatin calcium trihydrate
CAS# 344423-98-9 (calcium trihydrate)

Theoretical Analysis

MedKoo Cat#: 317257
Name: Atorvastatin calcium trihydrate
CAS#: 344423-98-9 (calcium trihydrate)
Chemical Formula: C66H74CaF2N4O13
Exact Mass:
Molecular Weight: 1209.38757
Elemental Analysis: C, 65.55; H, 6.17; Ca, 3.31; F, 3.14; N, 4.63; O, 17.20

Price and Availability

Size Price Availability Quantity
2.0g USD 150.0 Same Day
5.0g USD 250.0 Same Day
10.0g USD 450.0 Same Day
100.0g USD 1650.0 Same Day
500.0g USD 3650.0 Same Day
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Related CAS #: 134523-03-8 (calcium)   344423-98-9 (calcium trihydrate)   134523-00-5 (free acid)   134523-01-6 (sodium)   874114-41-7 (magnesium)    

Synonym: CI-981; CI 981; CI981; Atorvastatin; atorvastatin calcium trihydrate; atorvastatin, calcium salt; Brand name: Lipitor; liptonorm

IUPAC/Chemical Name: calcium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate trihydrate


InChi Code: InChI=1S/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1

SMILES Code: O=C(NC1=CC=CC=C1)C2=C(N(C(C3=CC=C(C=C3)F)=C2C4=CC=CC=C4)CC[C@H](C[C@H](CC([O-])=O)O)O)C(C)C.O=C(NC5=CC=CC=C5)C6=C(N(C(C7=CC=C(C=C7)F)=C6C8=CC=CC=C8)CC[C@H](C[C@H](CC([O-])=O)O)O)C(C)C.[H]O[H].[H]O[H].[H]O[H].[Ca+2]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
DMSO 100.0 165.37

Preparing Stock Solutions

The following data is based on the product molecular weight 1209.38757 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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