SML3030

Atorvastatin calcium salt trihydrate

≥98% (HPLC)

• Synonym(s): (betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate, calcium salt (2:1) trihyddrate, [R-(R*, R*)]-2-(4-Fluorophenyl)-β, δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1Hpyrrole-1-heptanoic acid, calcium salt (2:1) trihydrate
• Empirical Formula (Hill Notation): C₆₆H₆₈F₂N₄O₁₀ · Ca · 3H₂O
• CAS Number: 344423-98-9
• Molecular Weight: 1209.39
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• optical activity: [α]/D -9.0 to -5.0°, c = 0.5 in DMSO
• storage condition: protect from light
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: room temp
• SMILES string: O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(C2=CC=C(C=C2)F)=C1C3=CC=CC=C3)NC4=CC=CC=C4.[Ca+2].[3.0H2O]
• 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
• InChI key: SHZPNDRIDUBNMH-NIJVSVLQSA-L

Description

Biochem/physiol Actions

β-Hydroxy β-methylglutaryl-CoA (HMG-CoA) reductase inhibitor.

Atorvastatin calcium salt trihydrate is a specific inhibitor of β-Hydroxy β-methylglutaryl-CoA (HMG-CoA) reductase. HMG-CoA reductase is the enzyme that catalyzes the conversion of HMG-CoA to mevalonate, an early step in cholesterol biosynthesis. Atorvastatin is used in the treatment of hypercholesterolemia.

Safety Information

• pictograms: GHS08
• signalword: Danger
• hcodes: H351,H360D
• pcodes: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Carc. 2 - Repr. 1B
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable