Name: 2-Hydroxy Atorvastatin-[d5]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015190

CAS: 777841-55-1

Molecular Formula: C33H30D5FN2O6

Molecular Weight: 579.68

Chemical Structure

Description	2-Hydroxy Atorvastatin-[d5] is a labelled impurity of Atorvastatin, which is a HMG-CoA reductase inhibitor used to reduce cholesterol and prevent cardiovascular related disease.
Synonyms	(3R,5R)-7-(2-(4-fluorophenyl)-4-((2-hydroxyphenyl)carbamoyl)-5-isopropyl-3-(phenyl-d5)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid; 2-hydroxy Atorvastatin D5; o-Hydroxyatorvastatin-d5; (βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrole-1-heptanoic acid; BMS 243887-01-d5; Ortho-hydroxy atorvastatin-d5; PD 152873-d5; 2-Hydroxyatorvastatin-d5
IUPAC Name	(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Related CAS	214217-86-4 (unlabelled) 265989-47-7 (calcium salt) 1276537-19-9 (disodium salt)
Canonical SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3O)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F)[2H])[2H]
InChI	InChI=1S/C33H35FN2O6/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)/t24-,25-/m1/s1/i3D,4D,5D,8D,9D
InChI Key	CZBPKFICAYVHHM-AABVQTEKSA-N
Purity	>95%
Storage	Store at 2-8 °C