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N-Acetyl Mesalamine

CAT: 1596-AR-M01412-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01412-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51-59-2
Synonyms
5-acetamido-2-hydroxybenzoicacid;5-Acetylamino-2-hydroxybenzoic Acid; 3-Carboxyparacetamol; 5-Acetamidosalicylic Acid; CJ 46A; N-Acetylmesalamine; N-Acetyl-5-aminosalicylic Acid; N-Acetyl Mesalazine
Molecular Formula
C9H9NO4
Molecular Weight
195.17
API Name
Mesalamine

Chemical Information

N-Acetyl-5-Aminosalicylic Acid

N-acetyl-5-aminosalicylic acid is an aminobenzoic acid.

CAS Number51-59-2
PubChem CID65512
IUPAC Name5-acetamido-2-hydroxybenzoic acid
Molecular FormulaC9H9NO4
Molecular Weight195.17
XLogP1.6
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity241
SMILES
CC(=O)NC1=CC(=C(C=C1)O)C(=O)O
InChI
InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)
InChIKey
GEFDRROBUCULOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-5-Aminosalicylic Acid
CAS: 51-59-2
CID: 65512
Formula: C9H9NO4
MW: 195.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.17
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass195.05315777
Monoisotopic Mass195.05315777
Topological Polar Surface Area86.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CS-O-06757Mesalamine-13C6
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OM167041-01Mesalamine impurity S
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