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Rosuvastatin-d3 sodium salt - ≥97%,≥98atom%D, high purity , CAS No.1279031-70-7
Basic Description
Synonyms
(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl-d3)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic Acid Monosodium Salt | [S-[R*,S*-(E)]]-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl-d3)amino]-5-pyrimidinyl]
Specifications & Purity
≥97%,≥98atom%D
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Hydroxy fatty acids Unsaturated fatty acids Organosulfonamides Aryl fluorides Organic sulfonamides Aminosulfonyl compounds Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organofluorides Organic sodium salts Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Fluorobenzene - Hydroxy fatty acid - Halobenzene - Organic sulfonic acid amide - Organosulfonic acid amide - Unsaturated fatty acid - Aryl fluoride - Aryl halide - Hydroxy acid - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Carboxylic acid salt - Secondary alcohol - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic zwitterion - Organic salt - Organic sodium salt - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Organooxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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
sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(trideuteriomethyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
INCHI
InChI=1S/C22H28FN3O6S.Na/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1/i3D3;
InChIKey
RGEBGDYYHAFODH-SYRJKFITSA-M
Smiles
CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]
Isomeric SMILES
[2H]C([2H])([2H])N(C1=NC(=C(C(=N1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)S(=O)(=O)C.[Na+]
Alternate CAS
147098-18-8(Unlabelled)
PubChem CID
45359102
Molecular Weight
506.54
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
>76° C (dec.)
Molecular Weight
506.500 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
10
Exact Mass
506.169 Da
Monoisotopic Mass
506.169 Da
Topological Polar Surface Area
152.000 Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
773.000
Isotope Atom Count
3
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
2
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G2422296