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SR 140333

CAT: 0013-GTR19200808Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200808Size:10 mg
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Description
SR 140333 is a selective and potent antagonist of the tachykinin NK1 receptor. It is widely used in pharmacological research to investigate the role of substance P in pain transmission, inflammation, and emesis, utilizing both in vitro binding assays and in vivo experimental models.
CAS Number
153050-21-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C[C@]1 (CN (C (CC2=CC (OC (C) C) =CC=C2) =O) CCC1) C3=CC (Cl) =C (Cl) C=C3) [N+]45CCC (CC4) (CC5) C6=CC=CC=C6.[Cl-]
Molecular Formula
C37H45Cl3N2O2
Molecular Weight
656.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SR 140333

SR 140333 is tachykinin antagonist which has potential to treat diarrhoea due to food allergy or inflammatory bowel disease.

CAS Number153050-21-6
PubChem CID5311449
IUPAC Name1-[(3R)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone chloride
Molecular FormulaC37H45Cl3N2O2
Molecular Weight656.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity913
SMILES
CC(C)OC1=CC=CC(=C1)CC(=O)N2CCC[C@@](C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.[Cl-]
InChI
InChI=1S/C37H45Cl2N2O2.ClH/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30;/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3;1H/q+1;/p-1/t36?,37-,41?;/m0./s1
InChIKey
NQHFSECYQAQZBN-SJYHNBSJSA-M
Chemical Structure
2D Structure
2D structure of SR 140333
CAS: 153050-21-6
CID: 5311449
Formula: C37H45Cl3N2O2
MW: 656.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass654.254662
Monoisotopic Mass654.254662
Topological Polar Surface Area29.5 Ų
Heavy Atom Count44
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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