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Arecoline-d5 Hydrobromide Salt

CAT: 0572-TRC-A767502-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A767502-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131448-18-5
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Br.[2H]C1CC=C(C([2H])N1C([2H])([2H])[2H])C(=O)OC
Molecular Formula
C8 2H5 H8 N O2 . Br H
Molecular Weight
241.14
InChI
InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H/i1D3,5D,6D;
Additionnal Information
IUPAC name: methyl 2,6-dideuterio-1-(trideuteriomethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Arecoline-d5 Hydrobromide Salt
CAS Number131448-18-5
PubChem CID12305195
IUPAC Namemethyl 2,6-dideuterio-1-(trideuteriomethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
Molecular FormulaC8H14BrNO2
Molecular Weight241.14
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity187
SMILES
[2H]C1CC=C(C(N1C([2H])([2H])[2H])[2H])C(=O)OC.Br
InChI
InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H/i1D3,5D,6D;
InChIKey
AXOJRQLKMVSHHZ-UKYXHEKWSA-N
Chemical Structure
2D Structure
2D structure of Arecoline-d5 Hydrobromide Salt
CAS: 131448-18-5
CID: 12305195
Formula: C8H14BrNO2
MW: 241.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.14
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass240.05217
Monoisotopic Mass240.05217
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity187
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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sc-217660Arecoline-d5 Hydrobromide Salt
MBS6100691-01Arecoline-d5, Hydrobromide Salt (1,2,5,6-Tetrahydro-1- (methyl-d3) -3-pyridine-2,6-d2-carboxylic Acid, Methyl Ester Hydrobromide)
B3370-500Arecoline hydrobromide
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HY-B0489R-01Arecoline (hydrobromide) (Standard)
371185Arecoline hydrobromide discontinued

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