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2-Hydroxy Atorvastatin-[d5] Disodium Salt

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General Information
Catalog: BLP-002559
CAS: 1276537-19-9
Molecular Formula: C33H28D5FN2Na2O6
Molecular Weight: 623.63

Chemical Structure

Synonyms	2-Hydroxy Atorvastatin D5 Disodium Salt; Disodium (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-oxidophenyl)carbamoyl]-3-(2H5)phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate
IUPAC Name	disodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-oxidophenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3[O-])C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F)[2H])[2H].[Na+].[Na+]
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[O-].[Na+].[Na+]
InChI	InChI=1S/C33H35FN2O6.2Na/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41;;/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);;/q;2*+1/p-2/t24-,25-;;/m1../s1/i3D,4D,5D,8D,9D;;
InChI Key	KNVKONHBFPQVPI-SZNAXHTISA-L