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NE-100

CAT: 0013-GTR19202067-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202067-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NE-100 hydrochloride
CAS Number
149409-57-4
Product Name Alternative
NE100, NE-100, NE-100 HCl, NE100 Hydrochloride, NE-100 Hydrochloride, NE100 hydrochloride , NE 100, NE 100 HCl, NE 100 Hydrochloride, NE 100 hydrochloride , inhibit, Inhibitor, Sigmareceptor, Sigma Receptor, Sigma receptor, σ1
Field of Research
Cell Biology, Neuroscience
Purity
>98%
Bioactivity
Selective sigma-1 antagonist
Form
Powder
Solubility
Soluble in DMSO (up to at least 25 mg/ml) or in Water (up to 10 mg/ml)
Smiles
Cl.CCCN (CCC) CCc1ccc (OC) c (OCCc2ccccc2) c1
Molecular Formula
C23H33NO2·HCl
Molecular Weight
391.97
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
4-Methoxy-3- (2-phenylethoxy) -N, N, dipropylbenzeneethanamine hydrochloride

Chemical Information

4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)
CAS Number149409-57-4
PubChem CID9952420
IUPAC NameN-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
Molecular FormulaC23H34ClNO2
Molecular Weight392.0
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count27
Formal Charge0
Complexity337
SMILES
CCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2.Cl
InChI
InChI=1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H
InChIKey
ZHGMDXSHODHWHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)
CAS: 149409-57-4
CID: 9952420
Formula: C23H34ClNO2
MW: 392.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass391.2278070
Monoisotopic Mass391.2278070
Topological Polar Surface Area21.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity337
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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