Cas no 1105067-88-6 ((3S,5S)-Atorvastatin Calcium Salt)

(3S,5S)-Atorvastatin Calcium Salt structure
1105067-88-6 structure
Product Name:(3S,5S)-Atorvastatin Calcium Salt
CAS No:1105067-88-6
MF:C66H68CaF2N4O10
MW:1155.34174442291
CID:823986
PubChem ID:88078086
Update Time:2024-11-03

(3S,5S)-Atorvastatin Calcium Salt Chemical and Physical Properties

Names and Identifiers

    • 3S,5S enantiomer-Atorvastatin calcium
    • (3S,5S)-Atorvastatin Calcium Salt
    • (3S,5S)-Atorvastatin Calcium Salt
    • 3S, 5S enantioMer of Atorvastatin CalciuM
    • Atorvastatin Related CoMpound E
    • (βS,δS)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid hemicalcium salt
    • 3S,5S-Atorvastatin calcium
    • 3S, 5S enantiomer, Calcium (3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate (1:2)
    • (betaS,deltaS)-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid calcium salt (2:1)
    • calcium;(3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
    • calcium bis((3S,5S)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxyheptanoate)
    • calcium bis((3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate)
    • Calcium (3S,5S)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
    • SCHEMBL7037659
    • Calcium(3S,5S)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
    • 1105067-88-6
    • (3S,5S)-7-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic Acid Calcium Salt (ent-Atorvastatin Calcium Salt)
    • EN300-2009567
    • MDL： MFCD26142859
    • 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-;/m00./s1
    • InChI Key： FQCKMBLVYCEXJB-XOOYZFGPSA-L
    • SMILES： [Ca+2].FC1C=CC(=CC=1)C1=C(C2C=CC=CC=2)C(C(NC2C=CC=CC=2)=O)=C(C(C)C)N1CC[C@@H](C[C@@H](CC(=O)[O-])O)O.FC1C=CC(=CC=1)C1=C(C2C=CC=CC=2)C(C(NC2C=CC=CC=2)=O)=C(C(C)C)N1CC[C@@H](C[C@@H](CC(=O)[O-])O)O

Computed Properties

  • Exact Mass: 1154.4529416g/mol
  • Monoisotopic Mass: 1154.4529416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 83
  • Rotatable Bond Count: 25
  • Complexity: 817
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 229?2

Experimental Properties

  • Melting Point: 170 °C (decomposition)
  • Boiling Point: NA

(3S,5S)-Atorvastatin Calcium Salt Security Information

(3S,5S)-Atorvastatin Calcium Salt Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A109008298-10mg
Calcium (3S,5S)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
 1105067-88-6 95%
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TRC
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XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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A2B Chem LLC
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 1105067-88-6 ≥95%
5mg
 $424.00 2024-04-20
A2B Chem LLC
AE12647-100mg
Calcium (3S,5S)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
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1PlusChem
1P008V0N-50mg
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1PlusChem
1P008V0N-100mg
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1PlusChem
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 1105067-88-6 95%
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 $200.00 2023-12-26

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