Prucalopride Impurity 73

CAT: 1299-RM-P181273-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181273-01Size:10 mg

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CAS Number

566197-85-1

Synonyms

(1s,4s) -4- (4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxamido) -1- (3-methoxypropyl) piperidine 1-oxide

Molecular Formula

C18H26ClN3O4

Molecular Weight

383.87

Target Alternative Name

Prucalopride

Product Name Synonym

(1s,4s) -4- (4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxamido) -1- (3-methoxypropyl) piperidine 1-oxide

Chemical Information

4-(4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxamido)-1-(3-methoxypropyl)piperidine 1-oxide

CAS Number	566197-85-1
PubChem CID	10194032
IUPAC Name	4-amino-5-chloro-N-[1-(3-methoxypropyl)-1-oxidopiperidin-1-ium-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
Molecular Formula	C18H26ClN3O4
Molecular Weight	383.9
XLogP	1.4
Topological Polar Surface Area	91.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	487

SMILES

COCCC[N+]1(CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)[O-]

InChI

InChI=1S/C18H26ClN3O4/c1-25-9-2-6-22(24)7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-26-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)

InChIKey

VKWUQAJGGOCYTI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 566197-85-1

CID: 10194032

Formula: C18H26ClN3O4

MW: 383.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.9
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	383.1611840
Monoisotopic Mass	383.1611840
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	487
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

Catalog	Name
RM-P181231-01	Prucalopride Impurity 31
RM-P181227-01	Prucalopride Impurity 27
RM-P181201-01	Prucalopride Succinate Impurity A
RM-P181263-01	Prucalopride Impurity 63
RM-P181219-01	Prucalopride Impurity S
RM-P181225-01	Prucalopride Impurity Y
RM-P181222-01	Prucalopride Impurity V
RM-P181256-01	Prucalopride Impurity 56
RM-P181259-01	Prucalopride Impurity 59
RM-P181218-01	Prucalopride Impurity R