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Zimelidine dihydrochloride

CAT: 0607-B6851-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6851-10Size:10 mg
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Description
5-HT re-uptake inhibitor
CAS Number
60525-15-7
Product Name Alternative
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-(pyridin-3-yl)prop-2-en-1-amine dihydrochloride
Field of Research
Neuroscience 5-HT Receptor
Purity
0.98
Form
White solid
Solubility
<31.72mg/ml in H2O
Smiles
BrC1=CC=C(C=C1)/C(C2=CC=CN=C2)=C\CN(C)C.Cl.Cl
Molecular Formula
C16H17BrN2·2HCl
Molecular Weight
390.15
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

Zimelidine Dihydrochloride
CAS Number60525-15-7
PubChem CID6436006
IUPAC Name(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride
Molecular FormulaC16H19BrCl2N2
Molecular Weight390.1
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity293
SMILES
CN(C)C/C=C(/C1=CC=C(C=C1)Br)\C2=CN=CC=C2.Cl.Cl
InChI
InChI=1S/C16H17BrN2.2ClH/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;;/h3-10,12H,11H2,1-2H3;2*1H/b16-9-;;
InChIKey
CXGURXWCQYHDIR-ULPVBNQHSA-N
Chemical Structure
2D Structure
2D structure of Zimelidine Dihydrochloride
CAS: 60525-15-7
CID: 6436006
Formula: C16H19BrCl2N2
MW: 390.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass388.01087
Monoisotopic Mass388.01087
Topological Polar Surface Area16.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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