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Siramesine hydrochloride

CAT: 0931-T1885-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T1885-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
224177-60-0
Target
Sigma receptor, Lysosomal Autophagy, Ferroptosis
Related Pathways
Apoptosis, Autophagy, GPCR/G Protein
Purity
>99.99%
Bioactivity
Siramesine hydrochloride (Lu 28-179 hydrochloride) is a selective sigma-2 receptor agonist, which has been shown to trigger cell death of Y cells and to exhibit a potent anticancer activity in vivo.
Smiles
Cl.Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Molecular Formula
C30H32ClFN2O
Molecular Weight
491.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Siramesine hydrochloride
CAS Number224177-60-0
PubChem CID9891778
IUPAC Name1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
Molecular FormulaC30H32ClFN2O
Molecular Weight491.0
Topological Polar Surface Area17.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity656
SMILES
C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F.Cl
InChI
InChI=1S/C30H31FN2O.ClH/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30;/h1-4,8-15,21H,5-7,16-20,22H2;1H
InChIKey
ILSRGIFRZZSGPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Siramesine hydrochloride
CAS: 224177-60-0
CID: 9891778
Formula: C30H32ClFN2O
MW: 491.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass490.2187195
Monoisotopic Mass490.2187195
Topological Polar Surface Area17.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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