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Inolitazone 100mg

CAT: 0628-A21180-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A21180-100Size:100 mg
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CAS Number
223132-37-4

Chemical Information

Efatutazone

Efatutazone has been used in trials studying the treatment of Lymphoma, Liposarcoma, Solid Tumors, Multiple Myeloma, and Recurrent Thyroid Cancer, among others.

CAS Number223132-37-4
PubChem CID9832447
IUPAC Name5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC27H26N4O4S
Molecular Weight502.6
XLogP4.7
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity782
SMILES
CC1=CC(=CC(=C1N)C)OC2=CC3=C(C=C2)N=C(N3C)COC4=CC=C(C=C4)CC5C(=O)NC(=O)S5
InChI
InChI=1S/C27H26N4O4S/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33)
InChIKey
JCYNMRJCUYVDBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Efatutazone
CAS: 223132-37-4
CID: 9832447
Formula: C27H26N4O4S
MW: 502.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.6
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass502.16747650
Monoisotopic Mass502.16747650
Topological Polar Surface Area134 Ų
Heavy Atom Count36
Formal Charge0
Complexity782
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T15581-01Inolitazone
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