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NSC363998 free base

CAT: 0931-T81638-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T81638-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
159357-82-1
Target
Others
Related Pathways
Others
Bioactivity
NSC363998 (free base), an orally active compound, suppresses rCGG90-induced neurotoxicity and is utilized in researching neurodegenerative disorders, including Fragile X associated tremor/ataxia syndrome (FXTAS) [1].
Smiles
O=C1C=2C=CC=C(NCCCNCCO)C2C(=O)C=3C=CC=C(NCCCNCCO)C13
Molecular Formula
C24H32N4O4
Molecular Weight
440.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione
CAS Number159357-82-1
PubChem CID335352
IUPAC Name1,5-bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione
Molecular FormulaC24H32N4O4
Molecular Weight440.5
XLogP2.4
Topological Polar Surface Area123
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count32
Formal Charge0
Complexity540
SMILES
C1=CC2=C(C(=C1)NCCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCCNCCO
InChI
InChI=1S/C24H32N4O4/c29-15-13-25-9-3-11-27-19-7-1-5-17-21(19)24(32)18-6-2-8-20(22(18)23(17)31)28-12-4-10-26-14-16-30/h1-2,5-8,25-30H,3-4,9-16H2
InChIKey
ZDFMCUHFIYMYTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione
CAS: 159357-82-1
CID: 335352
Formula: C24H32N4O4
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP32.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass440.24235551
Monoisotopic Mass440.24235551
Topological Polar Surface Area123 Ų
Heavy Atom Count32
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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