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Atorvastatin EP Impurity E

CAT: 1596-AR-A02800-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02800-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1428118-38-0
Synonyms
(3S,5S) -7- (2- (4-fluorophenyl) -5-isopropyl-3-phenyl-4- (phenylcarbamoyl) -1H-pyrrol-1-yl) -3,5-dihydroxyheptanoic acid; Atorvastatin USP RC E ; ent-Atorvastatin Sodium ; (3S, 5S) -Atorvastatin Sodium
Molecular Formula
C33H35FN2O5
Molecular Weight
558.65
API Name
Atorvastatin

Chemical Information

(3s,5s)-atorvastatin sodium salt
CAS Number1428118-38-0
PubChem CID46780491
IUPAC Namesodium (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
Molecular FormulaC33H34FN2NaO5
Molecular Weight580.6
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity829
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=CC=CC=C4.[Na+]
InChI
InChI=1S/C33H35FN2O5.Na/c1-21(2)31-30(33(41)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)18-17-26(37)19-27(38)20-28(39)40;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1/t26-,27-;/m0./s1
InChIKey
VVRPOCPLIUDBSA-WMXJXTQLSA-M
Chemical Structure
2D Structure
2D structure of (3s,5s)-atorvastatin sodium salt
CAS: 1428118-38-0
CID: 46780491
Formula: C33H34FN2NaO5
MW: 580.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass580.23494463
Monoisotopic Mass580.23494463
Topological Polar Surface Area115 Ų
Heavy Atom Count42
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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