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2-Hydroxy Atorvastatin bis sodium

CAT: 1459-CS-O-06085Size: 1 EachDry Ice: NoHazardous: No
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Description
2-Hydroxy Atorvastatin bis sodium is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Atorvastatin. The product is supplied by Clearsynth under CAT No. CS-O-06085. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Metabolite of Atorvastatin
CAS Number
1581251-44-6
Synonyms
2-Hydroxy Atorvastatin bis sodium
Molecular Formula
C 33 H 33 FN 2 Na 2 O 6
Molecular Weight
618.60
Additionnal Information
2-Hydroxy Atorvastatin bis sodium is supplied with detailed characterization data compliant with regulatory guideline. 2-Hydroxy Atorvastatin bis sodium can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Atorvastatin.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Metabolite of Atorvastatin
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

disodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxycyclohexa-1,5-dien-1-yl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-1-hydroxy-1-oxoheptane-3,5-diolate
CAS Number1581251-44-6
PubChem CID176475886
IUPAC Namedisodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxycyclohexa-1,5-dien-1-yl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-1-hydroxy-1-oxoheptane-3,5-diolate
Molecular FormulaC33H35FN2Na2O6
Molecular Weight620.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count44
Formal Charge0
Complexity972
SMILES
CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)[O-])[O-])C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=C(CCC=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;;/h3-6,8-10,12-15,20,24-25,39H,7,11,16-19H2,1-2H3,(H,35,42)(H,40,41);;/q-2;2*+1/t24-,25-;;/m1../s1
InChIKey
MEZYWLNZBBQDRF-LBDKHHEASA-N
Chemical Structure
2D Structure
2D structure of disodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxycyclohexa-1,5-dien-1-yl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-1-hydroxy-1-oxoheptane-3,5-diolate
CAS: 1581251-44-6
CID: 176475886
Formula: C33H35FN2Na2O6
MW: 620.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass620.22745357
Monoisotopic Mass620.22745357
Topological Polar Surface Area138 Ų
Heavy Atom Count44
Formal Charge0
Complexity972
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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