1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid

HCID 8536CAS 130-36-9

Grundinformationen

Standard-SMILES
CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O
InChIKey
WIXFIQKTHUVFDI-UHFFFAOYSA-N
Summenformel
C11H10O5S
Durchschnittliche Molmasse
254,26 g/mol

Überblick

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.

Namen und Bezeichner

Bevorzugter 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
Englischer Name
Menadionebisulphite
Summenformel
C11H10O5S
Molmasse
254.26

Namen und Synonyme

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
Weitere Namen anzeigen
WIXFIQKTHUVFDI-UHFFFAOYSA-N
SCHEMBL459525MENADIONE SULFUROUS ACIDCHEMBL1159684CHEBI:63930BRD-A19777893-236-01-9Q27132916

Datenbank-Bezeichner

CAS
130-36-9
PubChem CID
8536
ChEMBL
CHEMBL1159684
ChEBI
CHEBI:63930
UNII
I2BE1ZEN8I
Nikkaji
J20.986D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
96,9 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
1
Schwere Atome
17

Physikochemische Eigenschaften

Dichte
1.54 · 1.54±0.1 g/cm3(Predicted)
pka
-0.14 · -0.14±0.20(Predicted)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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.

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Ergänzende Hinweise

DefinitionChEBI: An organosulfonic acid obtained by formal hydrosulfonation across the 2 and 3 positions of menadione.

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