Aminosalicylate sodium

C₇H₁₀NNaO₅CAS 6018-19-5211.15 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₇H₁₀NNaO₅
Molar mass: 211.15 g/mol
Exact mass: 211.0457 Da
logP: -5.31Crippen estimate
Polar surface area: 149.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6018-19-5

SMILES

C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+]

InChIKey

GMUQJDAYXZXBOT-UHFFFAOYSA-M

InChI

InChI=1S/C7H7NO3.Na.2H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;;/h1-3,9H,8H2,(H,10,11);;2*1H2/q;+1;;/p-1

Weigh it out

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Names and synonyms

1 names

Sodium 4-aminosalicylate dihydrate

Work with Aminosalicylate sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium p-aminosalicylate133-10-8Anhydrous 4-Aminosalicylic acid65-49-6Free acid Calcium p-aminosalicylate133-15-3Salt Aminosalicylate calcium6059-16-1Salt

Similar compounds

Sodium salicylate54-21-754 % similar Sodium 3-hydroxy-2-naphthoate14206-62-352 % similar 4'-Amino-2'-hydroxyacetophenone2476-29-151 % similar Sodium gentisate4955-90-250 % similar Sodium p-aminobenzoate555-06-649 % similar Methyl 4-amino-2-hydroxybenzoate4136-97-448 % similar Olsalazine sodium6054-98-448 % similar Phenyl 4-aminosalicylate133-11-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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