1,2,3,4-Tetrahydro-2-methyl-1,4-dioxonaphthalin-2-sulfonsure, Verbindung mit Nicotin-3-amid (1:1)
Menadione nicotinamide bisulfite
Grundinformationen
- CAS
73581-79-0- Standard-SMILES
CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O.NC(=O)c1cccnc1- InChIKey
DRDSBZXTAXDLDZ-UHFFFAOYSA-N- Summenformel
- C17H16N2O6S
- Durchschnittliche Molmasse
- 376,4 g/mol
- Monoisotopische Masse
- 376,07290741
Überblick
structure given in first source; organic salt of the 2 vitamins, menadione bisulfite and nicotinamide; pale yellow powder; melting point 182 degree C; pH 1-3.5
Namen und Bezeichner
- Bevorzugter Name
- Menadione nicotinamide bisulfite
- IUPAC
- 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide
- Lokaler Name
- 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxonaphthalin-2-sulfonsure, Verbindung mit Nicotin-3-amid (1:1)
- Englischer Name
- Menadione nicotinamide bisulfite
- Summenformel
- C17H16N2O6S
- Molmasse
- 376.38
Namen und Synonyme
Menadione nicotinamide bisulfite73581-79-0XI3RCW71NCUNII-XI3RCW71NCEINECS 277-543-7METHYL1,4-DIOXO-2,3-DIHYDRONAPHTHALENE-2-SULFONATE, PYRIDINE-3-CARBOXAMIDE1,2,3,4-Tetrahydro-2-methyl-1,4-dioxonaphthalene-2-sulphonic acid,compound with nicotin-3-amide (1:1)RefChem:156464277-543-7Nicotinamide 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid; pyridine-3-carboxamideMenadionenicotinamidebisulfite
Weitere Namen anzeigen
K3-MNBVitamin K3 MNB 96Menadione nicotinamide bisulfite (MNB)MENADIONE NICOTINAMIDE BISULPHITE (VITAMIN K3 MNB)methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide2-Methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid·3-pyridinecarboxamide2-Naphthalene sulfonic acid,1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-,compd with 3-pyridinecarboxamide
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 153 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 574
Physikochemische Eigenschaften
- Schmelzpunkt
- 182 ℃ · 182℃
- 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)
- InChIKey
- DRDSBZXTAXDLDZ-UHFFFAOYSA-N
- SMILES
- C(C1=CN=CC=C1)(=O)N.O=C1C(CC(=O)C2=CC=CC=C12)(C)S(O)(=O)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Regulation (EC) No 1831/2003 (amended)
2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, compd. with 3-pyridinecarboxamide (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Eye irritation - category 2
Skin Irrit. 2
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
Anwendungen
VerwendenMenadione Nicotinamide Bisulfite is also known as Vitamin K3 and is one of 3 synthetic types of Vitamin K along with K4 and K5. Menadione nicotinamide bisulfite is also used as a nutritional supplement for both the prevention of vitamin K deficiency and as a source of supplemental niacin in poultry and swine. Federal regulation 21 CFR 573.625 states that this substance can be added to chicken and turkey feeds at a level not to exceed 2 g per ton of complete feed, and to growing and finishing swine feeds at a level not to exceed 10 g per ton of complete feed.
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