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Atorvastatin Lactone

CAT: 0572-TRC-A791780-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A791780-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125995-03-1
Hazard Statement
May cause long lasting harmful effects to aquatic life
Purity
>95% (HPLC)
Smiles
CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H]5C[C@@H](O)CC(=O)O5
Molecular Formula
C33H33FN2O4
Molecular Weight
540.62
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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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