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DSP 4

CAT: 0931-T31582-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T31582-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62078-98-2
Target
Others, Adrenergic Receptor
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
DSP 4 is a selective neurotoxin selective for noradrenergic neurons in the locus coeruleus noradrenergic system and capable of crossing the blood–brain barrier and cyclizes to a reactive aziridinium derivative that is accumulated into the noradrenergic nerve terminals via the noradrenaline transporter.
Smiles
C(N(CCCl)CC)C1=C(Br)C=CC=C1
Molecular Formula
C11H15BrClN
Molecular Weight
276.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-chloroethyl)-N-ethyl-2-bromobenzylamine
CAS Number62078-98-2
PubChem CID3172
IUPAC NameN-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine
Molecular FormulaC11H15BrClN
Molecular Weight276.60
XLogP3.4
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity154
SMILES
CCN(CCCl)CC1=CC=CC=C1Br
InChI
InChI=1S/C11H15BrClN/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3
InChIKey
SDJLVPMBBFRBLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-chloroethyl)-N-ethyl-2-bromobenzylamine
CAS: 62078-98-2
CID: 3172
Formula: C11H15BrClN
MW: 276.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.60
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass275.00764
Monoisotopic Mass275.00764
Topological Polar Surface Area3.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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