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2-Hydroxy Atorvastatin-d5 Disodium

CAT: 1459-CS-O-02781Size: 1 EachDry Ice: NoHazardous: No
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Description
2-Hydroxy Atorvastatin-d5 Disodium is listed under Stable Isotopes 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-02781. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
"Labeled Atorvastatin Metabolite.; Labeled Atorvastatin, intended for use as an internal standard for the quantification of Atorvastatin by GC- or LC-mass spectrometry."
CAS Number
1276537-19-9
Synonyms
2-Hydroxy Atorvastatin-d5 Disodium
Molecular Formula
C 33 H 28 D 5 FN 2 Na 2 O 6
Molecular Weight
623.63
Additionnal Information
2-Hydroxy Atorvastatin-d5 Disodium is supplied with detailed characterization data compliant with regulatory guideline. 2-Hydroxy Atorvastatin-d5 Disodium 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
"Labeled Atorvastatin Metabolite.; Labeled Atorvastatin, intended for use as an internal standard for the quantification of Atorvastatin by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

2-Hydroxy Atorvastatin-d5 Disodium Salt
CAS Number1276537-19-9
PubChem CID45039407
IUPAC Namedisodium;(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
Molecular FormulaC33H33FN2Na2O6
Molecular Weight623.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity856
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+]
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;;
InChIKey
KNVKONHBFPQVPI-SZNAXHTISA-L
Chemical Structure
2D Structure
2D structure of 2-Hydroxy Atorvastatin-d5 Disodium Salt
CAS: 1276537-19-9
CID: 45039407
Formula: C33H33FN2Na2O6
MW: 623.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight623.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass623.24318723
Monoisotopic Mass623.24318723
Topological Polar Surface Area138 Ų
Heavy Atom Count44
Formal Charge0
Complexity856
Isotope Atom Count5
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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