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92134-98-0 molecular structure
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disodium (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl phosphate

ChemBase ID: 169454
Molecular Formular: C16H13N2Na2O6P
Molecular Mass: 406.237521
Monoisotopic Mass: 406.03066134
SMILES and InChIs

SMILES:
C1(=O)N(C(=O)NC1(c1ccccc1)c1ccccc1)COP(=O)([O-])[O-].[Na+].[Na+]
Canonical SMILES:
O=C1N(COP(=O)([O-])[O-])C(=O)NC1(c1ccccc1)c1ccccc1.[Na+].[Na+]
InChI:
InChI=1S/C16H15N2O6P.2Na/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);;/q;2*+1/p-2
InChIKey:
GQPXYJNXTAFDLT-UHFFFAOYSA-L

Cite this record

CBID:169454 http://www.chembase.cn/molecule-169454.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl phosphate
IUPAC Traditional name
disodium (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl phosphate
Synonyms
5,5-Diphenyl-3-[(phosphonooxy)methyl]-2,4-imidazolidinedione Sodium Salt
ACC 9653
ACC 9653-010
CI 982
Cetebyx
Pro-Epanutin
Fosphenytoin Sodium
CAS Number
92134-98-0
PubChem SID
162263586
PubChem CID
56338

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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PubChem 56338 external link
Data Source Data ID Price
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Data Source Data ID
PubChem 56338 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

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F728900 external link
Phenytoin prodrug used in the treatment of epileptic seizures.

REFERENCES

REFERENCES

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  • • Hussey, E., et al.: Pharm. Res., 7, 1172 (1990)
  • • Ogutu, B., et al.: Brit. J. Clin. Pharmacol., 56, 464 (1990)
  • • Dhareshwar, S., et al.: J. Pharm. Sci., 99, 2711 (1990)
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PATENTS

PATENTS

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INTERNET

INTERNET

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