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P2X3 antagonist 36

CAT: 0931-T63197-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63197-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2310263-59-1
Target
Others, P2X Receptor
Related Pathways
Neuroscience, Others, Membrane transporter/Ion channel
Bioactivity
P2X3 antagonist (36) is a compound that functions as a P2X3 antagonist.
Smiles
C(C(NC1=CC=C(Cl)C=N1)=O)N2C3=C(C(=O)N4C2=CC(C(F)(F)F)=N4)CN([C@@H](CC)C)C3=O
Molecular Formula
C20H18ClF3N6O3
Molecular Weight
482.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

P2X3 antagonist 36
CAS Number2310263-59-1
PubChem CID142565060
IUPAC Name2-[5-[(2R)-butan-2-yl]-2,6-dioxo-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-chloro-2-pyridinyl)acetamide
Molecular FormulaC20H18ClF3N6O3
Molecular Weight482.8
XLogP2.7
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity868
SMILES
CC[C@@H](C)N1CC2=C(C1=O)N(C3=CC(=NN3C2=O)C(F)(F)F)CC(=O)NC4=NC=C(C=C4)Cl
InChI
InChI=1S/C20H18ClF3N6O3/c1-3-10(2)28-8-12-17(19(28)33)29(9-15(31)26-14-5-4-11(21)7-25-14)16-6-13(20(22,23)24)27-30(16)18(12)32/h4-7,10H,3,8-9H2,1-2H3,(H,25,26,31)/t10-/m1/s1
InChIKey
AHDQSCWTJUABRN-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of P2X3 antagonist 36
CAS: 2310263-59-1
CID: 142565060
Formula: C20H18ClF3N6O3
MW: 482.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.8
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass482.1081006
Monoisotopic Mass482.1081006
Topological Polar Surface Area100 Ų
Heavy Atom Count33
Formal Charge0
Complexity868
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-153710P2X3 antagonist 38
MBS5805871P2X3 antagonist 36
HY-143576P2X3 antagonist 37
HY-161914P2X3 antagonist 39
HY-135976-01P2X3 antagonist 34
217162AF353 (P2X3 Purinergic Receptor Antagonist, AF353, P2X2/3 Purinergic Receptor Antagonist, AF353)
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