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Carfloglitazar sodium

CAT: 0931-T69653-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69653-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2390374-10-2
Target
Others, PPAR
Related Pathways
Others, DNA Damage/DNA Repair, Metabolism
Bioactivity
Carfloglitazar sodium is the salt form of Carfloglitazar, a peroxisome proliferator activating receptor (PPAR) agonist.
Smiles
O=C(C1=CC=C(C=C1)F)C(C=CC=C2)=C2N[C@H](C([O-])=O)CC(C=C3)=CC=C3OCCN4C5=CC=CC=C5C6=CC=CC=C64.[Na+]
Molecular Formula
C36H28FN2NaO4
Molecular Weight
594.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Carfloglitazar sodium, (S)-
CAS Number2390374-10-2
PubChem CID154572870
IUPAC Namesodium (2S)-3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoate
Molecular FormulaC36H28FN2NaO4
Molecular Weight594.6
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity902
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCOC4=CC=C(C=C4)C[C@@H](C(=O)[O-])NC5=CC=CC=C5C(=O)C6=CC=C(C=C6)F.[Na+]
InChI
InChI=1S/C36H29FN2O4.Na/c37-26-17-15-25(16-18-26)35(40)30-9-1-4-10-31(30)38-32(36(41)42)23-24-13-19-27(20-14-24)43-22-21-39-33-11-5-2-7-28(33)29-8-3-6-12-34(29)39;/h1-20,32,38H,21-23H2,(H,41,42);/q;+1/p-1/t32-;/m0./s1
InChIKey
RMVIEXHXRDCWBT-UCRKPPETSA-M
Chemical Structure
2D Structure
2D structure of Carfloglitazar sodium, (S)-
CAS: 2390374-10-2
CID: 154572870
Formula: C36H28FN2NaO4
MW: 594.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass594.19307982
Monoisotopic Mass594.19307982
Topological Polar Surface Area83.4 Ų
Heavy Atom Count44
Formal Charge0
Complexity902
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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