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Talnetant

CAT: 0931-T7549-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T7549-08Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
174636-32-9
Target
Neurokinin receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.98
Bioactivity
Talnetant (SB 223412) is a selective, competitive NK3 receptor antagonist that penetrates the brain and modulates mesolimbic and mesocortical dopaminergic neurotransmission.
Smiles
CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Molecular Formula
C25H22N2O2
Molecular Weight
382.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Talnetant

Talnetant (SB-223,412) is a neurokinin 3 receptor antagonist developed by GlaxoSmithKline, which is being researched for several different functions, primarily for irritable bowel syndrome and as a potential antipsychotic drug for the treatment of schizophrenia.

CAS Number174636-32-9
PubChem CID5311424
IUPAC Name3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Molecular FormulaC25H22N2O2
Molecular Weight382.5
XLogP5.7
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity527
SMILES
CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O
InChI
InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
InChIKey
BIAVGWDGIJKWRM-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Talnetant
CAS: 174636-32-9
CID: 5311424
Formula: C25H22N2O2
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass382.168127949
Monoisotopic Mass382.168127949
Topological Polar Surface Area62.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity527
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

Alternative Products

CatalogName
A3854-10Talnetant
A15254-5Talnetant 5mg
A15254-2Talnetant 2mg
A15254-50Talnetant 50mg
GTR19186414-01Talnetant hydrochloride
A15254-100Talnetant 100mg
A15254-10Talnetant 10mg
A15254-1Talnetant 1mg
HY-14552ATalnetant (hydrochloride)

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