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Talnetant

CAT: 0607-A3854-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3854-50Size:50 mg
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Description
NK3 receptor antagonist,potent and selective
CAS Number
174636-32-9
Product Name Alternative
3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
Sequence
SB-223412;SB223412;SB 223412
Field of Research
GPCR G protein NK3 Receptor
Purity
0.98
Form
Off-white solid
Solubility
≥51.2 mg/mL in DMSO; ≥7.16 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O
Molecular Formula
C25H22N2O2
Molecular Weight
382.45
Shipping Conditions
Blue ice
Storage Conditions
Store at -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
MBS3610765-01Talnetant
A15254-5Talnetant 5mg
A15254-2Talnetant 2mg
A15254-50Talnetant 50mg
GTR19186414-01Talnetant hydrochloride
A15254-100Talnetant 100mg
A15254-10Talnetant 10mg
A15254-1Talnetant 1mg
HY-14552ATalnetant (hydrochloride)
A15254-25Talnetant 25mg

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