Phytonadione

Base Information

• Chemical Name: Phytonadione
• CAS No.: 11104-38-4
• Deprecated CAS: 10485-69-5,15973-57-6,50926-17-5,15973-57-6
• Molecular Formula: C31H46O2
• Molecular Weight: 450.702
• European Community (EC) Number: 201-564-2,234-330-3
• NSC Number: 760373
• UNII: S5Z3U87QHF,MLF3D1712D
• DSSTox Substance ID: DTXSID8023472
• Nikkaji Number: J3.883K
• Wikipedia: Phytomenadione
• Wikidata: Q186093
• NCI Thesaurus Code: C29365
• RXCUI: 8308
• Metabolomics Workbench ID: 29110
• ChEMBL ID: CHEMBL1550
• Mol file: 11104-38-4.mol

Synonyms:Aquamephyton;Konakion;Phyllohydroquinone;Phylloquinone;Phytomenadione;Phytonadione;Vitamin K 1;Vitamin K1

Chemical Property of Phytonadione

Chemical Property:

• Vapor Pressure: 5.37E-12mmHg at 25°C
• Melting Point: -20oC
• Refractive Index: 1.51
• Boiling Point: 546.4 °C at 760 mmHg
• Flash Point: 200.4 °C
• PSA: 34.14000
• Density: 0.963 g/cm³
• LogP: 9.15760
• XLogP3: 10.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 450.349780706
• Heavy Atom Count: 33
• Complexity: 696

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Vitamins and Derivatives
• Canonical SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
• Isomeric SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C
• Recent ClinicalTrials: Effects of Vitamin K on Lower-extremity Function in Adults With Osteoarthritis:
• Recent EU Clinical Trials: The effect of administering VITamin K preprocedural on the vitamin K dependent coagulation factors and the INR in patients anticoagulated with ACEnocoumarol