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Ferroptosis-IN-18

CAT: 0931-T206933-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206933-01Size:10 mg
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CAS Number
2247525-20-6
Target
Ferroptosis, Glutathione Peroxidase
Related Pathways
Apoptosis, Metabolism
Bioactivity
Ferroptosis-IN-18 (51) is a phenothiazine derivative known for its potent anti-ferroptotic and antioxidant properties. It is useful for research related to intracerebral hemorrhage (ICH) .
Smiles
S1C=2C=CC=CC2NC3=CC(=CC=C13)C(C4=CC=C(C=C4)N5CCN(C)CC5)C
Molecular Formula
C25H27N3S
Molecular Weight
401.567
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ferroptosis-IN-18
CAS Number2247525-20-6
PubChem CID141531564
IUPAC Name2-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-10H-phenothiazine
Molecular FormulaC25H27N3S
Molecular Weight401.6
XLogP5.8
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity526
SMILES
CC(C1=CC=C(C=C1)N2CCN(CC2)C)C3=CC4=C(C=C3)SC5=CC=CC=C5N4
InChI
InChI=1S/C25H27N3S/c1-18(19-7-10-21(11-8-19)28-15-13-27(2)14-16-28)20-9-12-25-23(17-20)26-22-5-3-4-6-24(22)29-25/h3-12,17-18,26H,13-16H2,1-2H3
InChIKey
DUFWSQSTMSZBDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ferroptosis-IN-18
CAS: 2247525-20-6
CID: 141531564
Formula: C25H27N3S
MW: 401.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.6
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass401.19256905
Monoisotopic Mass401.19256905
Topological Polar Surface Area43.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity526
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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