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4-Hydroxy Atorvastatin Lactone-d5

CAT: 0572-TRC-H828964-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H828964-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
265989-49-9
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c(C(=O)Nc3ccc(O)cc3)c(C(C)C)n(CC[C@@H]4C[C@@H](O)CC(=O)O4)c2c5ccc(F)cc5
Molecular Formula
C33 2H5 H28 F N2 O5
Molecular Weight
561.65
InChI
InChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-27-18-26(38)19-28(39)41-27/h3-15,20,26-27,37-38H,16-19H2,1-2H3,(H,35,40)/t26-,27-/m1/s1/i3D,4D,5D,6D,7D
Additionnal Information
IUPAC name: 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(4-hydroxyphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2-propan-2-ylpyrrole-3-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Hydroxy Atorvastatin Lactone-d5
CAS Number265989-49-9
PubChem CID10769236
IUPAC Name5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(4-hydroxyphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2-propan-2-ylpyrrole-3-carboxamide
Molecular FormulaC33H33FN2O5
Molecular Weight561.7
XLogP5.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity866
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=C(C=C3)O)C(C)C)CC[C@@H]4C[C@H](CC(=O)O4)O)C5=CC=C(C=C5)F)[2H])[2H]
InChI
InChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-27-18-26(38)19-28(39)41-27/h3-15,20,26-27,37-38H,16-19H2,1-2H3,(H,35,40)/t26-,27-/m1/s1/i3D,4D,5D,6D,7D
InChIKey
KDJMDZSAAFACAM-GVULGNFTSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy Atorvastatin Lactone-d5
CAS: 265989-49-9
CID: 10769236
Formula: C33H33FN2O5
MW: 561.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.7
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass561.26873405
Monoisotopic Mass561.26873405
Topological Polar Surface Area101 Ų
Heavy Atom Count41
Formal Charge0
Complexity866
Isotope Atom Count5
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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Alternative Products

CatalogName
sc-2168554-Hydroxy Atorvastatin Lactone-d5
HY-136346S-01Ortho-hydroxy atorvastatin lactone-d5
H9036-51O-Hydroxy Atorvastatin Lactone-d5
sc-2138182-Hydroxy Atorvastatin Lactone-d5
AR-A02781-01Para-Hydroxy Atorvastatin-d5 Lactone
H9036-53P-Hydroxy Atorvastatin Lactone-d5
TMIJ-0149-01Ortho-Hydroxy Atorvastatin-d5 Lactone
FH23909-014-Hydroxy atorvastatin lactone
RM-A202232-01Atorvastatin 4-Hydroxy Lactone
CS-O-14387Atorvastatin-d5 Lactone (4-phenyl-d5)

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