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Capeserod

CAT: 0931-T68035-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T68035-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
769901-96-4
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9994
Bioactivity
Capeserod is a potential 5-HT4 receptor (5-hydroxytryptamine receptor 4) agonist for the study of digestive disorders and neurological disorders.
Smiles
O=C1OC(=NN1C2CCN(CCC=3C=CC=CC3)CC2)C=4C=C(Cl)C(N)=C5OCCOC54
Molecular Formula
C23H25ClN4O4
Molecular Weight
456.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(8-Amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-(2-phenylethyl)-4-piperidinyl)-1,3,4-oxadiazol-2(3H)-one

Capeserod is a small molecule drug. The usage of the INN stem '-serod' in the name indicates that Capeserod is a serotonin receptor antagonist and partial agonist. Capeserod has a monoisotopic molecular weight of 456.16 Da.

CAS Number769901-96-4
PubChem CID9805719
IUPAC Name5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-one
Molecular FormulaC23H25ClN4O4
Molecular Weight456.9
XLogP3.8
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity695
SMILES
C1CN(CCC1N2C(=O)OC(=N2)C3=CC(=C(C4=C3OCCO4)N)Cl)CCC5=CC=CC=C5
InChI
InChI=1S/C23H25ClN4O4/c24-18-14-17(20-21(19(18)25)31-13-12-30-20)22-26-28(23(29)32-22)16-7-10-27(11-8-16)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13,25H2
InChIKey
MDBNTXARNGRHEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(8-Amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-(2-phenylethyl)-4-piperidinyl)-1,3,4-oxadiazol-2(3H)-one
CAS: 769901-96-4
CID: 9805719
Formula: C23H25ClN4O4
MW: 456.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.9
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass456.1564330
Monoisotopic Mass456.1564330
Topological Polar Surface Area89.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5810587Capeserod
GTR19197960-01Capeserod HCl
TRC-C769980-100MGCapeserod Hydrochloride
HY-121249Capeserod (hydrochloride)

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