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R-137696

CAT: 0013-GTR19241201-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241201-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
R-137696 is an orally bioavailable small molecule agonist of the 5-HT1A receptor, which induces proximal gastric relaxation. It is a research tool used in preclinical studies of functional dyspepsia and gastrointestinal motility, both in vitro and in vivo.
CAS Number
695185-73-0
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
C (NCCCN1C (=O) NCCC1) C2OC=3C (C=C2) =CC=CC3
Molecular Formula
C17H23N3O2
Molecular Weight
301.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2(1H)-Pyrimidinone, 1-(3-((2H-1-benzopyran-2-ylmethyl)amino)propyl)tetrahydro-
CAS Number695185-73-0
PubChem CID86278310
IUPAC Name1-[3-(2H-chromen-2-ylmethylamino)propyl]-1,3-diazinan-2-one
Molecular FormulaC17H23N3O2
Molecular Weight301.4
XLogP1.7
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity399
SMILES
C1CNC(=O)N(C1)CCCNCC2C=CC3=CC=CC=C3O2
InChI
InChI=1S/C17H23N3O2/c21-17-19-10-4-12-20(17)11-3-9-18-13-15-8-7-14-5-1-2-6-16(14)22-15/h1-2,5-8,15,18H,3-4,9-13H2,(H,19,21)
InChIKey
WVFDYQCBLOVCJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(1H)-Pyrimidinone, 1-(3-((2H-1-benzopyran-2-ylmethyl)amino)propyl)tetrahydro-
CAS: 695185-73-0
CID: 86278310
Formula: C17H23N3O2
MW: 301.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass301.17902698
Monoisotopic Mass301.17902698
Topological Polar Surface Area53.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity399
Isotope Atom Count0
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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