Home > Compound List > Compound details
92134-98-0(anhydrous) molecular structure
click picture or here to close

disodium hydrate (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl phosphate

ChemBase ID: 153248
Molecular Formular: C16H15N2Na2O7P
Molecular Mass: 424.252801
Monoisotopic Mass: 424.04122602
SMILES and InChIs

SMILES:
c1ccc(cc1)C1(C(=O)N(C(=O)N1)COP(=O)([O-])[O-])c1ccccc1.O.[Na+].[Na+]
Canonical SMILES:
O=C1N(COP(=O)([O-])[O-])C(=O)NC1(c1ccccc1)c1ccccc1.O.[Na+].[Na+]
InChI:
InChI=1S/C16H15N2O6P.2Na.H2O/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23;;;/h1-10H,11H2,(H,17,20)(H2,21,22,23);;;1H2/q;2*+1;/p-2
InChIKey:
WPAVXKKGWCHUAK-UHFFFAOYSA-L

Cite this record

CBID:153248 http://www.chembase.cn/molecule-153248.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium hydrate (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl phosphate
IUPAC Traditional name
disodium hydrate (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl phosphate
Synonyms
5,5-Diphenyl-3-[(phosphonooxy)methyl]-2,4-imidazolidinedione disodium salt hydrate
Fosphenytoin disodium salt hydrate
CAS Number
92134-98-0(anhydrous)
MDL Number
MFCD20527322
PubChem SID
162247387
PubChem CID
67940113

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
SML0117 external link Add to cart Please log in.
Data Source Data ID
PubChem 67940113 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.4607412  H Acceptors
H Donor LogD (pH = 5.5) -0.74049556 
LogD (pH = 7.4) -1.6477319  Log P 1.6680293 
Molar Refractivity 84.8103 cm3 Polarizability 33.743156 Å3
Polar Surface Area 121.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: ≥15 mg/mL expand Show data source
Apperance
white to tan powder expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
45-61-22 expand Show data source
Safety Statements
53-36/37-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H350-H360 expand Show data source
GHS Precautionary statements
P201-P308 + P313 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C16H13N2Na2O6P · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - SML0117 external link
Biochem/physiol Actions
Fosphenytoin is a water soluble phenytoin prodrug.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle