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Atorvastatin-D5 Calcium

Atorvastatin-D5 Calcium
Atorvastatin-D5 Calcium
Brand: In House
Product Code: A00115
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Atorvastatin-D5 Calcium

Compound Information

Pub Chem ID 45038178

Descriptons

IUPAC Name: 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-(2,3,
4,5,6-pentadeuteriophenyl)-N-phenyl-2-propan-2-ylpyrrole-3-carboxamide

InChI: InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)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)18-17-27-19-26(37)20-28(38)
40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1/i3D,5D,
6D,9D,10D

InChIKey: OUCSEDFVYPBLLF-CCJPLZOUSA-N

Canonical SMILES : CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=
CC=CC=C5

Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[[email protected]@
H]4C[[email protected]](CC(=O)O4)O)C5=CC=C(C=C5)F)[2H])[2H]

Atorvastatin-D5 Calcium

Molecular Formula
Molecular formula 16GB
Physical Properties
Appearence 4

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