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· · COA & SDS available for every product · Same-day shipping on in-stock items Atorvastatin calcium salt trihydrate - 98% , CAS No.134523-03-8
Synonyms
Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2) | 1H-Pyrrole-1-heptanoic acid, beta,delta-dihydroxy-2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-,
Storage
Protected from light,Room temperature
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Why this grade 98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Calcium (betaR, deltaR)-2-(p-fluorophenyl)-beta, delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2) | 1H-Pyrrole-1-heptanoic acid, beta, delta-dihydroxy-2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-,
Specifications & Purity
98%
Biochemical and Physiological Mechanisms
Atorvastatin calcium salt trihydrate is a specific inhibitor of 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
Storage
Protected from light, Room temperature
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Names and Identifiers Canonical Smiles CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2] IUPAC Name calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate InChIKey FQCKMBLVYCEXJB-MNSAWQCASA-L INCHI 1S/2C33H35FN2O5.Ca/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);/q;;+2/p-2/t2*26-,27-;/m11./s1 Isomeric SMILES CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2] WGK Germany 3 PubChem CID 60822 Molecular Weight 1155.34
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyrroles Subclass Substituted pyrroles Intermediate Tree Nodes Phenylpyrroles Direct Parent Diphenylpyrroles Alternative Parents Aromatic anilides Medium-chain hydroxy acids and derivatives Pyrrole carboxamides Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidic acids Carboxylic acids Organic metal halides Organic calcium salts Monocarboxylic acids and derivatives Organonitrogen compounds Organic zwitterions Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organofluorides Molecular Framework Not available Substituents 2,3-diphenylpyrrole - Aromatic anilide - Medium-chain hydroxy acid - Medium-chain fatty acid - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxamide - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Hydroxy fatty acid - Aryl halide - Fatty acid - Fatty acyl - Aryl fluoride - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid salt - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Organic calcium salt - Carboximidic acid - Carboximidic acid derivative - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly two phenyl groups. External Descriptors organic calcium salt Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 1155.300 g/mol XLogP3 Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 22 Exact Mass 1154.45 Da Monoisotopic Mass 1154.45 Da Topological Polar Surface Area 229.000 Ų Heavy Atom Count 83 Formal Charge 0 Complexity 817.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 3
Citations of This Product References 1. Yuan-yuan Zhai, Qiang Wang, Qi-yao Nong, Mei-yu Gao, Ying Zhang, Qin-wen Xiao, Yuan Tian, Zun-jian Zhang, Feng-guo Xu, Pei Zhang. (2025) Pitavastatin overcomes multi-drug resistance in CRC and NSCLC by targeting the NRP1-ZFX axis. BIOCHEMICAL PHARMACOLOGY, [PMID:40684995 ] [10.1016/j.bcp.2025.117183 ] 2. Meiqi Wang, Beixuan Yang, Xin Li, Huanhuan Ma, Xia Ou, Zeren Dawa, Fangle Liu, Chenchen Zhu, Chaozhan Lin. (2025) Brunodelphinine A alleviates non-alcoholic fatty liver disease by inhibiting oxidative stress and regulating lipid metabolism via NOX4/SIRT1/PPARs axis. PHYTOMEDICINE, [PMID:40907406 ] [10.1016/j.phymed.2025.157202 ] 3. Yu-Jia Kuang, Qian-Qian Chen, Jin-hua Hao, Yang Lin, Ping-Ting Xiao, E-Hu Liu. (2025) Typhae Pollen attenuates atherosclerosis by enhancing vascular endothelium function and lipid metabolism. JOURNAL OF ETHNOPHARMACOLOGY, [PMID:40946817 ] [10.1016/j.jep.2025.120604 ] 4. Xinman Hu, Fang-Yuan Chen, Jie Ding, Zihe Zhai, Huang Yang, Liyin Shen, Yang Zhu, Dong-Sheng Guo, Changyou Gao. (2023) Supramolecular self-assembled nanoparticles camouflaged with neutrophil membrane to mitigate myocardial ischemia/reperfusion (I/R) injury. CHEMICAL ENGINEERING JOURNAL, [PMID: [10.1016/j.cej.2023.148138 ] 5. Huanhuan Ma, Yunxia Ma, Zeren Dawa, Yufeng Yao, Meiqi Wang, Kaihui Zhang, Chenchen Zhu, Fangle Liu, Chaozhan Lin. (2022) Diterpenoid Alkaloids Isolated from Delphinium brunonianum and Their Inhibitory Effects on Hepatocytes Lipid Accumulation. MOLECULES, 27 (7): (2257). [PMID:35408656 ] [10.3390/molecules27072257 ]
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Reconstitution Calculator Reviews Related Products (3R,5S)-Atorvastatin Sodium Salt , CAS No.131275-93-9
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