Prucalopride Impurity 32

CAT: 1299-RM-P181232-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181232-01Size:10 mg

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CAS Number

202664-85-5

Synonyms

Methyl 4-acetamido-2-hydroxy-3- (2-hydroxyethyl) benzoate

Molecular Formula

C12H15NO5

Molecular Weight

253.25

Target Alternative Name

Prucalopride

Product Name Synonym

Methyl 4-acetamido-2-hydroxy-3- (2-hydroxyethyl) benzoate

Chemical Information

Methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate

CAS Number	202664-85-5
PubChem CID	10706021
IUPAC Name	methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate
Molecular Formula	C12H15NO5
Molecular Weight	253.25
XLogP	0.7
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	307

SMILES

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

InChI

InChI=1S/C12H15NO5/c1-7(15)13-10-4-3-9(12(17)18-2)11(16)8(10)5-6-14/h3-4,14,16H,5-6H2,1-2H3,(H,13,15)

InChIKey

PSCJHQCRAUZQFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 202664-85-5

CID: 10706021

Formula: C12H15NO5

MW: 253.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.25
XLogP3	0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	253.09502258
Monoisotopic Mass	253.09502258
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	307
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