93858-40-3 Purity
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Specification
The molecular formula of Sodium 5-isobutylbarbiturate is C8H10N2Na2O3.
The molecular weight of Sodium 5-isobutylbarbiturate is 228.16 g/mol.
Some synonyms for Sodium 5-isobutylbarbiturate are EINECS 299-289-6, 93858-57-2, and Disodium 5-(2-methylpropyl)-2-oxo-2,5-dihydropyrimidine-4,6-bis(olate).
Sodium 5-isobutylbarbiturate was created on 2009-08-20 and modified on 2023-12-30 in PubChem.
The IUPAC name of Sodium 5-isobutylbarbiturate is disodium; 5-(2-methylpropyl)-6-oxo-5H-pyrimidine-2,4-diolate.
The InChIKey of Sodium 5-isobutylbarbiturate is MSQCVNOIXXEVAQ-UHFFFAOYSA-L.
The Canonical SMILES of Sodium 5-isobutylbarbiturate is CC(C)CC1C(=NC(=NC1=O)[O-])[O-].[Na+].[Na+].
Sodium 5-isobutylbarbiturate has 3 hydrogen bond acceptor counts.
The heavy atom count of Sodium 5-isobutylbarbiturate is 15.
Yes, Sodium 5-isobutylbarbiturate is a canonicalized compound according to PubChem.