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Bupivacaine-d9

CAT: 0931-TMIJ-0210-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0210-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
474668-57-0
Target
Calcium Channel, Potassium Channel, Sodium Channel, iGluR
Related Pathways
Metabolism, Membrane transporter/Ion channel, Neuroscience
Bioactivity
Bupivacaine-d9 is a deuterated compound of Bupivacaine. Bupivacaine has a CAS number of 38396-39-3. Bupivacaine is a NMDA receptor inhibitor.Bupivacaine can block sodium, L-calcium, and potassium channels.Bupivacaine potently blocks SCN5A channels with the IC50 of 69.5 μM. Bupivacaine can be used for the research of chronic pain.
Smiles
C([2H])([2H])([2H])C([2H])([2H])C([2H])([2H])C(N1C(CCCC1)C(NC1=C(C)C=CC=C1C)=O)([2H])[2H]
Molecular Formula
C18H19D9N2O
Molecular Weight
297.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bupivacaine-d9
CAS Number474668-57-0
PubChem CID71314294
IUPAC NameN-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)piperidine-2-carboxamide
Molecular FormulaC18H28N2O
Molecular Weight297.5
XLogP3.4
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity321
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCCCC1C(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/i1D3,4D2,5D2,12D2
InChIKey
LEBVLXFERQHONN-JOJYFGIVSA-N
Chemical Structure
2D Structure
2D structure of Bupivacaine-d9
CAS: 474668-57-0
CID: 71314294
Formula: C18H28N2O
MW: 297.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass297.276654234
Monoisotopic Mass297.276654234
Topological Polar Surface Area32.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity321
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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AR-B02219-01Bupivacaine-d9
TRC-B689579-10MG(±)-Bupivacaine-d9 (butyl-d9)
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