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Zypitamag , HMG-CoA reductase inhibitor, CAS No.956116-90-8, HMG-CoA reductase inhibitor
Basic Description
Synonyms
pitavastatin magnesium | DTXSID301027804 | (T-4)-Bis((3R,5S,6E)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3-(hydroxy-kappaO)-5-hydroxy-6-heptenoato-kappaO-)magnesium | Zypitamag (TN) | BDS8LUQ384 | PITAVASTATIN MAGNESIUM [ORANGE BOOK] | magnesium;
Action Type
INHIBITOR
Mechanism of action
HMG-CoA reductase inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Phenylquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylquinolines
Alternative Parents
Phenylpyridines Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Halogenated fatty acids Hydroxy fatty acids Heterocyclic fatty acids Unsaturated fatty acids Aryl fluorides Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organonitrogen compounds Organic zwitterions Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phenylquinoline - 4-phenylpyridine - Medium-chain hydroxy acid - Medium-chain fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Halogenated fatty acid - Beta-hydroxy acid - Halobenzene - Fluorobenzene - Aryl fluoride - Hydroxy acid - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Pyridine - Unsaturated fatty acid - Benzenoid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid salt - Monocarboxylic acid or derivatives - Organic metal halide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors
Not available
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.
Names and Identifiers
IUPAC Name
magnesium;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
INCHI
InChI=1S/2C25H24FNO4.Mg/c2*26-17-9-7-15(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;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
InChIKey
MPAZKXHCZWDZDY-FFNUKLMVSA-L
Smiles
C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Mg+2]
Isomeric SMILES
C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Mg+2]
Molecular Weight
865.2
Reaxy-Rn
21665286
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21665286&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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