Mesalazine EP Impurity S

CAT: 1299-RM-M191219-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M191219-01Size:10 mg

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CAS Number

1797983-23-3

Synonyms

5-amino-2- ((3-carboxy-4-hydroxyphenyl) amino) benzoic acid

Molecular Formula

C14H12N2O5

Molecular Weight

288.26

Target Alternative Name

Mesalazine

Product Name Synonym

5-amino-2- ((3-carboxy-4-hydroxyphenyl) amino) benzoic acid

Chemical Information

5-Amino-2-((3-carboxy-4-hydroxyphenyl)amino)benzoic acid

CAS Number	1797983-23-3
PubChem CID	119106329
IUPAC Name	5-amino-2-(3-carboxy-4-hydroxyanilino)benzoic acid
Molecular Formula	C14H12N2O5
Molecular Weight	288.25
XLogP	2.9
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	403

SMILES

C1=CC(=C(C=C1N)C(=O)O)NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C14H12N2O5/c15-7-1-3-11(9(5-7)13(18)19)16-8-2-4-12(17)10(6-8)14(20)21/h1-6,16-17H,15H2,(H,18,19)(H,20,21)

InChIKey

FNKYNYBONZATNB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1797983-23-3

CID: 119106329

Formula: C14H12N2O5

MW: 288.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.25
XLogP3	2.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	288.07462149
Monoisotopic Mass	288.07462149
Topological Polar Surface Area	133 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	403
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-M191217-01	Mesalazine EP Impurity Q
RM-M191229-01	Mesalazine EP Impurity C
RM-M191304-01	Mesalazine EP Impurity D
RM-M191207-01	Mesalazine EP Impurity G
RM-M191209-01	Mesalazine EP Impurity I
RM-M191216-01	Mesalazine EP Impurity P
RM-M191228-01	Mesalazine EP Impurity B
RM-M191206-01	Mesalazine EP Impurity F
RM-M191210-01	Mesalazine EP Impurity J DiHCl
RM-M191220-01	Mesalazine Impurity 20; Sulfasalazine EP Impurity I