Menadione nicotinamide bisulfite

C₁₇H₁₆N₂O₆SCAS 73581-79-0376.38 g/mol

Open in Covalent MOL file

Ketone Sulfonic acid

Properties

Molecular formula: C₁₇H₁₆N₂O₆S
Molar mass: 376.38 g/mol
Exact mass: 376.0729 Da
logP: 2.07Crippen estimate
Polar surface area: 145.5 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2

Identifiers

CAS number

73581-79-0

SMILES

CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O.N=C(O)c1cccnc1

InChIKey

DRDSBZXTAXDLDZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H10O5S.C6H6N2O/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;7-6(9)5-2-1-3-8-4-5/h2-5H,6H2,1H3,(H,14,15,16);1-4H,(H2,7,9)

Weigh it out

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

Names and synonyms

2 names

2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, compd. with 3-pyridinecarboxamide (1:1)
3-Pyridinecarboxamide, mono(1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonate)

Work with Menadione nicotinamide bisulfite

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

Similar compounds

Nicotinamide98-92-045 % similar 2-Methyl-1,4-naphthoquinone sodium bisulfite130-37-044 % similar Nicotinamide hydriodide3726-23-643 % similar 3-Propionylpyridine1570-48-536 % similar Nicotinuric acid583-08-434 % similar Methyl β-oxo-3-pyridinepropanoate54950-20-832 % similar 3-(2-Bromoacetyl)pyridine hydrobromide17694-68-732 % similar 3-Acetylpyridine350-03-831 % similar

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

Elsewhere

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