5-(Acetylamino)-2-hydroxybenzoic acid - CAS 51-59-2
Catalog: |
BB027508 |
Product Name: |
5-(Acetylamino)-2-hydroxybenzoic acid |
CAS: |
51-59-2 |
Synonyms: |
5-acetamido-2-hydroxybenzoic acid |
IUPAC Name: | 5-acetamido-2-hydroxybenzoic acid |
Description: | N-Acetyl Mesalazine is a metabolite of Mesalazine. It is a Salicylic Acid derivative. It is an inhibitor of recombinant human thiopurine methyltransferase (hTPMT). |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical 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) |
InChI Key: | GEFDRROBUCULOD-UHFFFAOYSA-N |
Boiling Point: | 480.2 °C at 760 mmHg |
Melting Point: | 221-223 °C |
Purity: | > 95 % |
Density: | 1.462 g/cm3 |
Appearance: | Light-borwn solid |
LogP: | 1.12180 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019391092-A1 | Metabolic profiling with magnetic resonance mass spectrometry (mrms) | 20180621 |
WO-2019152847-A1 | Disease detection and treatment based on trimethyl-lysine levels | 20180201 |
EP-3746066-A1 | Disease detection and treatment based on trimethyl-lysine levels | 20180201 |
US-2021038550-A1 | Disease detection and treatment based on trimethyl-lysine levels | 20180201 |
WO-2019049049-A1 | SALTS, CO-CRYSTALS, AND CO-CRYSTAL COMPLEXES OF NICOTINE SALTS | 20170905 |
PMID | Publication Date | Title | Journal |
22167206 | 20110101 | Absorption kinetics of 5-aminosalicylic acid in rat: influence of indomethacin-induced gastrointestinal lesions and Escherichia Coli Nissle 1917 medication | Neuro endocrinology letters |
20590602 | 20100701 | Influence of 5-aminosalicylic acid on 6-thioguanosine phosphate metabolite levels: a prospective study in patients under steady thiopurine therapy | British journal of pharmacology |
21042487 | 20100701 | Development and validation of spectrophotometric methods for the estimation of mesalamine in tablet dosage forms | Journal of young pharmacists : JYP |
19633577 | 20091101 | Safety, efficacy, and pharmacokinetics of balsalazide in pediatric patients with mild-to-moderate active ulcerative colitis: results of a randomized, double-blind study | Journal of pediatric gastroenterology and nutrition |
19688110 | 20090101 | Inhibitory effect of flavonoids on the efflux of N-acetyl 5-aminosalicylic acid intracellularly formed in Caco-2 cells | Journal of biomedicine & biotechnology |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Oxygen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS