Basic information
- CAS
73581-79-0- Standard SMILES
COS(=O)(=O)C1CC(=O)c2ccccc2C1=O.NC(=O)c1cccnc1- InChIKey
RMXKVUXLGPLYON-UHFFFAOYSA-N- Molecular formula
- C17H16N2O6S
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.07290741
Names & identifiers
- Preferred name
- Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide
- IUPAC
- methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate;pyridine-3-carboxamide
- English name
- Menadione nicotinamide bisulfite
- Molecular formula
- C17H16N2O6S
- Molecular weight
- 376.38
Names & synonyms
1,2,3,4-tetrahydro-2-methyl-1,4-dioxonaphthalene-2-sulphonic acid, compound with nicotin-3-amide (1DTXSID50994369methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamidePyridine-3-carboximidic acid--methyl 1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate (1/1)K3-MNBVitamin K3 MNB 96Menadione Nicotinamide bisulfiteMenadione nicotinamide bisulfite (MNB)MENADIONE NICOTINAMIDE BISULPHITE (VITAMIN K3 MNB)Nicotinamide 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate2-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
Show more names
2-Naphthalene sulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, compd with 3-pyridinecarboxamide
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- Melting point
- 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
- FDA 21 CFR
- 573.625 · 573.625
- FDA UNII
- 3 RCW71NC · XI3RCW71NC
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H410
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H319-H410
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Applications
UsesMenadione 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.
Suppliers31 total
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北海克斯生化有限公司18696113233
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北中科新辰科技有限公司欢迎详询+微信 18827688560
河北凡博医药科技有限公司15832170903 · [email protected]
河北茹麒科技有限公司176-03256889 17603256889 · [email protected]
PT CHEM GROUP LIMITED
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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