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Alepride

CAT: 0013-GTR19242267-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242267-01Size:10 mg
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Description
Alepride, a sulpiride derivative, is a selective dopamine D2/D3 receptor antagonist used as an antiemetic in research. It is applied in pharmacological studies for investigating emesis mechanisms and dopaminergic pathways in both in vitro and in vivo experimental models.
CAS Number
66564-15-6
Smiles
O=C (NC1CCN (CC1) CC2CC=CCC2) C3=CC (Cl) =C (N) C=C3OCC=C
Molecular Formula
C22H30ClN3O2
Molecular Weight
403.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alepride
CAS Number66564-15-6
PubChem CID176880
IUPAC Name4-amino-5-chloro-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-prop-2-enoxybenzamide
Molecular FormulaC22H30ClN3O2
Molecular Weight403.9
XLogP4.1
Topological Polar Surface Area67.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity548
SMILES
C=CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)Cl)N
InChI
InChI=1S/C22H30ClN3O2/c1-2-12-28-21-14-20(24)19(23)13-18(21)22(27)25-17-8-10-26(11-9-17)15-16-6-4-3-5-7-16/h2-4,13-14,16-17H,1,5-12,15,24H2,(H,25,27)
InChIKey
WJDKTEVHFQAXFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alepride
CAS: 66564-15-6
CID: 176880
Formula: C22H30ClN3O2
MW: 403.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.9
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass403.2026549
Monoisotopic Mass403.2026549
Topological Polar Surface Area67.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity548
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

Alternative Products

CatalogName
T202282-01Alepride

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