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Saroglitazar (Magnesium)

CAT: 0013-GTR19153896-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153896-01Size:100 mg
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Description
Saroglitazar magnesium is a novel peroxisome proliferator-activated receptor (PPAR) agonist with predominant PPARα and moderate PPARγ activity with EC50 values of 0.65 pM and 3 nM in HepG2 cells, respectively.
CAS Number
1639792-20-3
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Smiles
CCO1[C@H] (C ([O-][Mg]12[O-]C ([C@@H] (O2CC) CC3=CC=C (OCCN4C (C) =CC=C4C5=CC=C (SC) C=C5) C=C3) =O) =O) CC6=CC=C (OCCN7C (C) =CC=C7C8=CC=C (SC) C=C8) C=C6.[MgH+]
Molecular Formula
C25H28NO4S.1/2Mg
Molecular Weight
450.71
Notes
For research use only.

Chemical Information

Saroglitazar Magnesium
CAS Number1639792-20-3
PubChem CID121000421
IUPAC Namemagnesium bis((2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoate)
Molecular FormulaC50H56MgN2O8S2
Molecular Weight901.4
Topological Polar Surface Area178
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Heavy Atom Count63
Formal Charge0
Complexity526
SMILES
CCO[C@@H](CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)C(=O)[O-].CCO[C@@H](CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)C(=O)[O-].[Mg+2]
InChI
InChI=1S/2C25H29NO4S.Mg/c2*1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20;/h2*5-14,24H,4,15-17H2,1-3H3,(H,27,28);/q;;+2/p-2/t2*24-;/m00./s1
InChIKey
UJYFZCVPOSZDMK-YPPDDXJESA-L
Chemical Structure
2D Structure
2D structure of Saroglitazar Magnesium
CAS: 1639792-20-3
CID: 121000421
Formula: C50H56MgN2O8S2
MW: 901.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight901.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Exact Mass900.3328508
Monoisotopic Mass900.3328508
Topological Polar Surface Area178 Ų
Heavy Atom Count63
Formal Charge0
Complexity526
Isotope Atom Count0
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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