Prucalopride 100mg

CAT: 0628-A11771-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A11771-100Size:100 mg

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CAS Number

179474-81-8

Chemical Information

Prucalopride

Prucalopride is a member of benzamides.

CAS Number	179474-81-8
PubChem CID	3052762
IUPAC Name	4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
Molecular Formula	C18H26ClN3O3
Molecular Weight	367.9
XLogP	2
Topological Polar Surface Area	76.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	445

SMILES

COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

InChI

InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)

InChIKey

ZPMNHBXQOOVQJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 179474-81-8

CID: 3052762

Formula: C18H26ClN3O3

MW: 367.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	367.9
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	367.1662694
Monoisotopic Mass	367.1662694
Topological Polar Surface Area	76.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	445
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes