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Taplucainium chloride

CAT: 0931-T69610-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69610-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2489565-37-7
Target
Others, Sodium Channel
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
Taplucainium chloride is a sodium channel blocker with applications as a pain reliever.
Smiles
C([N+]1(CC(NC2=C(C)C=CC=C2C)=O)CCCCCC1)C3=CC=CC=C3.[Cl-]
Molecular Formula
C23H31ClN2O
Molecular Weight
386.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Taplucainium Chloride
CAS Number2489565-37-7
PubChem CID166642641
IUPAC Name2-(1-benzylazepan-1-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide chloride
Molecular FormulaC23H31ClN2O
Molecular Weight387.0
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity425
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+]2(CCCCCC2)CC3=CC=CC=C3.[Cl-]
InChI
InChI=1S/C23H30N2O.ClH/c1-19-11-10-12-20(2)23(19)24-22(26)18-25(15-8-3-4-9-16-25)17-21-13-6-5-7-14-21;/h5-7,10-14H,3-4,8-9,15-18H2,1-2H3;1H
InChIKey
LKGJDWZDLANXSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Taplucainium Chloride
CAS: 2489565-37-7
CID: 166642641
Formula: C23H31ClN2O
MW: 387.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass386.2124913
Monoisotopic Mass386.2124913
Topological Polar Surface Area29.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity425
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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Alternative Products

CatalogName
MBS5812158Taplucainium chloride
HY-148802-01Taplucainium (chloride)
189775-01Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
HY-W012954S-01TMA chloride-d12 (chloride)
3125490Tin chloride (stannous chloride)
3121645Cobalt chloride (Cobaltous chloride)
3125225Stannous chloride (tin chloride)
3123430Manganous chloride (Manganese chloride)
53473813-100gHexadecyltrimethylammonium chloride (Cetyltrimethylammonium chloride)
3121825Cupric chloride (Copper chloride)

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