Balsalazide disodium hydrate

C17H17N3Na2O8CAS 150399-21-6437.32 g/mol

O−ONHONNOHO−OH2OH2ONa+Na+
AmideAzoCarboxylic acidPhenol

Properties

Molecular formula
C17H17N3Na2O8
Molar mass
437.32 g/mol
Exact mass
437.0811 Da
logP
0.30Crippen estimate
Polar surface area
211.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
7
Double bonds
EE/Z, in SMILES order

Hazards

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

Identifiers

CAS number
150399-21-6
SMILES
[O-]C(=O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C([O-])=O)c2)cc1.O.O.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzoic acid, 5-[(1E)-2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt, hydrate (1:2:2)
  • Benzoic acid, 5-[[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]azo]-2-hydroxy-, disodium salt, dihydrate, (E)-
  • Benzoic acid, 5-[(1E)-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]azo]-2-hydroxy-, disodium salt, dihydrate
  • Balsalazide disodium dihydrate

Work with Balsalazide disodium hydrate

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.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere