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Irindalone

CAT: 0931-T11677-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T11677-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96478-43-2
Target
Others, 5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Others
Bioactivity
IrindaloneIrindalone is a potent serotonin (5-HT2) antagonist.
Smiles
C(CN1CCNC1=O)N2CCN([C@H]3C=4C([C@@H](C3)C5=CC=C(F)C=C5)=CC=CC4)CC2
Molecular Formula
C24H29FN4O
Molecular Weight
408.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Irindalone

Irindalone is a small molecule drug. Irindalone has a monoisotopic molecular weight of 408.23 Da.

CAS Number96478-43-2
PubChem CID65845
IUPAC Name1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
Molecular FormulaC24H29FN4O
Molecular Weight408.5
XLogP2.6
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity588
SMILES
C1CN(C(=O)N1)CCN2CCN(CC2)[C@@H]3C[C@H](C4=CC=CC=C34)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H29FN4O/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)28-14-11-27(12-15-28)13-16-29-10-9-26-24(29)30/h1-8,22-23H,9-17H2,(H,26,30)/t22-,23+/m0/s1
InChIKey
GHAMYXPEZSUOCU-XZOQPEGZSA-N
Chemical Structure
2D Structure
2D structure of Irindalone
CAS: 96478-43-2
CID: 65845
Formula: C24H29FN4O
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass408.23253972
Monoisotopic Mass408.23253972
Topological Polar Surface Area38.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3844636-01Irindalone
A20187-25Irindalone 25mg
A20187-10Irindalone 10mg
A20187-100Irindalone 100mg
A20187-50Irindalone 50mg
A20187-1Irindalone 1mg
A20187-5Irindalone 5mg

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