4-Aminosalicylic acid - CAS 65-49-6

Name: 4-Aminosalicylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032744
Product Name:	4-Aminosalicylic acid
CAS:	65-49-6
Synonyms:	4-amino-2-hydroxybenzoic acid; 4-amino-2-hydroxybenzoic acid

Technical Data

Related CAS:	133-10-8
IUPAC Name:	4-amino-2-hydroxybenzoic acid
Description:	4-Aminosalicylic acid (Aminosalicylic acid) is an antitubercular agent with bacteriostatic activity against Mycobacterium tuberculosis.
Molecular Weight:	153.14
Molecular Formula:	C7H7NO3
Canonical SMILES:	C1=CC(=C(C=C1N)O)C(=O)O
InChI:	InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
InChI Key:	WUBBRNOQWQTFEX-UHFFFAOYSA-N
Boiling Point:	347 °C
Melting Point:	150-151 °C, with effervescence
Purity:	≥ 98 %
Density:	1.545 g/cm³
Solubility:	>23 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Solid powder
MDL:	MFCD00007789
LogP:	1.25380
pH:	pH (saturated aq soln): between 3 & 3.7
Stability:	Darkens on exposure to light & air
Vapor Pressure:	0.000004 [mmHg]

GHS Hazard Statement:	H315 (39.06%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
32816093	20210101	An in vitro coculture system of human peripheral blood mononuclear cells with hepatocellular carcinoma-derived cells for predicting drug-induced liver injury	Archives of toxicology
29274493	20180120	1,3,5-triazaspiro[5.5]undeca-2,4-dienes as selective Mycobacterium tuberculosis dihydrofolate reductase inhibitors with potent whole cell activity	European journal of medicinal chemistry
28437613	20170515	Evaluating the Role of Multidrug Resistance Protein 3 (MDR3) Inhibition in Predicting Drug-Induced Liver Injury Using 125 Pharmaceuticals	Chemical research in toxicology
28126437	20170215	Novel salicylanilides from 4,5-dihalogenated salicylic acids: Synthesis, antimicrobial activity and cytotoxicity	Bioorganic & medicinal chemistry
28028696	20170201	Synthesis and anti-mycobacterial activity of 4-(4-phenyl-1H-1,2,3-triazol-1-yl)salicylhydrazones: revitalizing an old drug	Archives of pharmacal research

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.042593085
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	153.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3