Basic information
- Standard SMILES
CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O- InChIKey
WIXFIQKTHUVFDI-UHFFFAOYSA-N- Molecular formula
- C11H10O5S
- Average molar mass
- 254.26 g/mol
Overview
Menadione sulfonic acid is an organosulfonic acid obtained by formal hydrosulfonation across the 2 and 3 positions of menadione. It is functionally related to a menadione. It is a conjugate acid of a menadione sulfonate.
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid
- IUPAC
- 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid
- English name
- Menadionebisulphite
- Molecular formula
- C11H10O5S
- Molecular weight
- 254.26
Names & synonyms
Menadione bisulfite130-36-9I2BE1ZEN8I2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-1,2,3,4-Tetrahydro-2-methyl-1, 4-dioxo-2-naphthalenesulfonic acidRefChem:8109081,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acidmenadione sulfonic acid2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acidMENADIONEBISULPHITE2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acidUNII-I2BE1ZEN8I
Show more names
WIXFIQKTHUVFDI-UHFFFAOYSA-N
SCHEMBL459525MENADIONE SULFUROUS ACIDCHEMBL1159684CHEBI:63930BRD-A19777893-236-01-9Q27132916
Database identifiers
- CAS
130-36-9- PubChem CID
- 8536
- ChEMBL
CHEMBL1159684- ChEBI
CHEBI:63930- UNII
- I2BE1ZEN8I
- Nikkaji
- J20.986D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- -0.14 · -0.14±0.20(Predicted)
- FDA UNII
- 2 BE1ZEN8I · I2BE1ZEN8I
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that prevent fibrinolysis or lysis of a blood clot or thrombus. Several endogenous antiplasmins are known. The drugs are used to control massive hemorrhage and in other coagulation disorders.
Organic substances that are required in small amounts for maintenance and growth, but which cannot be manufactured by the human body.
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: An organosulfonic acid obtained by formal hydrosulfonation across the 2 and 3 positions of menadione.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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