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Atorvastatin lactone (Standard)

CAT: 0804-HY-101873R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101873R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Atorvastatin lactone (Standard) is the analytical standard of Atorvastatin lactone. This product is intended for research and analytical applications. Atorvastatin lactone is a proagent form of atorvastatin. Atorvastatin is an orally active 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase inhibitor[1].
CAS Number
125995-03-1
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
HMG-CoA Reductase (HMGCR) ; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/atorvastatin-lactone-standard.html
Smiles
O=C(C1=C(C(C)C)N(CC[C@@H]2C[C@@H](O)CC(O2)=O)C(C3=CC=C(F)C=C3)=C1C4=CC=CC=C4)NC5=CC=CC=C5
Molecular Formula
C33H33FN2O4
Molecular Weight
540.62
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

Atorvastatin lactone

Atorvastatin lactone is a member of pyrroles.

CAS Number125995-03-1
PubChem CID6483036
IUPAC Name5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
Molecular FormulaC33H33FN2O4
Molecular Weight540.6
XLogP5.7
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity834
SMILES
CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
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
InChIKey
OUCSEDFVYPBLLF-KAYWLYCHSA-N
Chemical Structure
2D Structure
2D structure of Atorvastatin lactone
CAS: 125995-03-1
CID: 6483036
Formula: C33H33FN2O4
MW: 540.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.6
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass540.24243570
Monoisotopic Mass540.24243570
Topological Polar Surface Area80.6 Ų
Heavy Atom Count40
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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