Menadione nicotinamide bisulfite
Properties
- Molecular formula
- C17H16N2O6S
- Molar mass
- 376.38 g/mol
- Exact mass
- 376.0729 Da
- logP
- 2.07Crippen estimate
- Polar surface area
- 145.5 Ų
- H-bond donors / acceptors
- 3 / 6
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 607-619-00-0), via PubChem.
Precautionary statements
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, P501
Identifiers
CAS number
73581-79-0SMILES
CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O.N=C(O)c1cccnc1InChIKey
DRDSBZXTAXDLDZ-UHFFFAOYSA-NInChI
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
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
Metyrapone54-36-438 % similar
1-(3-Pyridyl)propan-1-one1570-48-536 % similar
Nicotinuric acid583-08-434 % similar
2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one33284-21-833 % similar
Niacin59-67-633 % similar
Methyl β-oxo-3-pyridinepropanoate54950-20-832 % similar
3-(2-Bromoacetyl)pyridine hydrobromide17694-68-732 % similar
Ethyl 3-oxo-3-(pyridin-3-yl)propanoate6283-81-431 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.