IUPAC Traditional

sodium 4-[5-(4-fluorophenyl)-5-hydroxy-4-phenyl-2-(phenylcarbamoyl)-1-(propan-2-yl)-3,10-dioxa-6-azatricyclo[4.4.0.0²,⁴]decan-9-yl]-3-hydroxybutanoate

Compound number MolPort-046-590-028
Molecular weight 612.63
InChI key OWLRXFXFFHQDSQ-UHFFFAOYSA-M
Molecular formula C33H34FN2NaO7
DMSO Solubility Unknown
SMILES [Na;v0+].[#6]-[#6](-[#6])C12[#8]-[#6](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-[#6]-[#7]1C([#8])(c1ccc(F)cc1)C1([#8]C21[#6](=O)-[#7]-c1ccccc1)c1ccccc1
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More Information

Compound identifiers

Compound number
MolPort-046-590-028
CAS number
1316291-19-6; 5140-28-3

Names, Synonyms and 3rd Party Identifiers

3-O-Acetylmorphine
Atorvastatin Cyclic Sodium Salt (Isopropyl) Impurity

InChI

InChI
1/C33H35FN2O7.Na/c1-21(2)33-31(29(40)35-25-11-7-4-8-12-25)30(43-31,22-9-5-3-6-10-22)32(41,23-13-15-24(34)16-14-23)36(33)18-17-27(42-33)19-26(37)20-28(38)39;/h3-16,21,26-27,37,41H,17-20H2,1-2H3,(H,35,40)(H,38,39);/q;+1/p-1
InChI key
OWLRXFXFFHQDSQ-UHFFFAOYSA-M

Formula

Molecular formula
C33H34FN2NaO7
Molecular weight
612.63

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