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Desmethyl Prucalopride

CAT: 1596-AR-P03195-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P03195-01Size:50 Units
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CAS Number
1599434-55-5
Synonyms
4-amino-5-chloro-N- (1- (3-hydroxypropyl) piperidin-4-yl) -2,3-dihydrobenzofuran-7-carboxamide;4-Amino-5-chloro-2,3-dihydro-N-[1- (3-hydroxypropyl) -4-piperidinyl]-7-BenzofurancarbOxamide, 4-Amino-5-Chloro-N- (1- (3-hydroxypropyl) piperidin-4-yl) -2,3-Dihydrobenzofuran-7-Carboxamide
Molecular Formula
C17H24ClN3O3
Molecular Weight
353.85
API Name
Prucalopride

Chemical Information

Desmethyl Prucalopride
CAS Number1599434-55-5
PubChem CID74763469
IUPAC Name4-amino-5-chloro-N-[1-(3-hydroxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
Molecular FormulaC17H24ClN3O3
Molecular Weight353.8
XLogP1.4
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity431
SMILES
C1CN(CCC1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)CCCO
InChI
InChI=1S/C17H24ClN3O3/c18-14-10-13(16-12(15(14)19)4-9-24-16)17(23)20-11-2-6-21(7-3-11)5-1-8-22/h10-11,22H,1-9,19H2,(H,20,23)
InChIKey
WGPKFPITTNLUMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmethyl Prucalopride
CAS: 1599434-55-5
CID: 74763469
Formula: C17H24ClN3O3
MW: 353.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.8
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass353.1506193
Monoisotopic Mass353.1506193
Topological Polar Surface Area87.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity431
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

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Alternative Products

CatalogName
CS-EO-02879Desmethyl Prucalopride
TRC-D345552-50MGDesmethyl Prucalopride-D6
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