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Siramesine-hydrochloride

CAT: 0013-GTR19153672-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153672-01Size:100 mg
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Description
Siramesine (Lu 28-179) Hcl is a selective sigma-2 receptor agonist, which has been shown to trigger cell death of cancer cells and to exhibit a potent anticancer activity in vivo.
CAS Number
224177-60-0
Smiles
FC1=CC=C (N2C=C (CCCCN3CCC4 (CC3) OCC5=C4C=CC=C5) C6=C2C=CC=C6) C=C1.Cl
Molecular Formula
C30H31FN2O
Molecular Weight
454.5894
Notes
For research use only.

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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Alternative Products

CatalogName
HY-14221A-01Siramesine (hydrochloride)
T1885-01Siramesine hydrochloride
A12479-10Siramesine Hydrochloride 10mg
A12479-50Siramesine Hydrochloride 50mg
A12479-1Siramesine Hydrochloride 1mg
A12479-100Siramesine Hydrochloride 100mg
A12479-2Siramesine Hydrochloride 2mg
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A12479-5Siramesine Hydrochloride 5mg
A12479-10mM-DSiramesine Hydrochloride 10mM * 1mL in DMSO

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