Prucalopride Impurity S

CAT: 1299-RM-P181219-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181219-01Size:10 mg

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CAS Number

149466-67-1

Synonyms

Methyl 4-acetamido-2,3-dihydrobenzofuran-7-carboxylate

Molecular Formula

C12H13NO4

Molecular Weight

235.24

Target Alternative Name

Prucalopride

Product Name Synonym

Methyl 4-acetamido-2,3-dihydrobenzofuran-7-carboxylate

Chemical Information

7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl ester

CAS Number	149466-67-1
PubChem CID	11031833
IUPAC Name	methyl 4-acetamido-2,3-dihydro-1-benzofuran-7-carboxylate
Molecular Formula	C12H13NO4
Molecular Weight	235.24
XLogP	1
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	318

SMILES

CC(=O)NC1=C2CCOC2=C(C=C1)C(=O)OC

InChI

InChI=1S/C12H13NO4/c1-7(14)13-10-4-3-9(12(15)16-2)11-8(10)5-6-17-11/h3-4H,5-6H2,1-2H3,(H,13,14)

InChIKey

YSESCRBYFIXFJX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149466-67-1

CID: 11031833

Formula: C12H13NO4

MW: 235.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.24
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	235.08445790
Monoisotopic Mass	235.08445790
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	318
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-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
RM-P181248-01	Prucalopride Impurity 48