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CAT: 0931-T23423-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23423-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
362512-81-0
Target
Others, Sigma receptor
Related Pathways
GPCR/G Protein, Others
Bioactivity
σ1 receptor ligand
Smiles
OC12C3C4C(N1CCC5=CC(F)=CC=C5)C6C2C7C3C4C6C7
Molecular Formula
C19H20FNO
Molecular Weight
297.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(N-(3'-Fluorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol

LSM-1328 is a sesquiterpenoid.

CAS Number362512-81-0
PubChem CID10040286
IUPAC Name5-[2-(3-fluorophenyl)ethyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
Molecular FormulaC19H20FNO
Molecular Weight297.4
XLogP2.9
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity568
SMILES
C1C2C3C4C1C5C2C6C3C4C5(N6CCC7=CC(=CC=C7)F)O
InChI
InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-3,6,10-18,22H,4-5,7H2
InChIKey
FYGREZKTJIXWIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (N-(3'-Fluorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol
CAS: 362512-81-0
CID: 10040286
Formula: C19H20FNO
MW: 297.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass297.15289242
Monoisotopic Mass297.15289242
Topological Polar Surface Area23.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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