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Molecule
Phenytoin Sodium
CAS: 630-93-3 · C15H12N2NaO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 630-93-3
- Molecular Formula
- C15H12N2NaO2
- Molecular Mass
- 275.26 g/mol
Identifiers
CAS Registry Number
630-93-3
SMILES
OC1=NC(c2ccccc2)(c2ccccc2)C(O)=N1.[Na]
InChI Key
JBSMSVZHETUQQA-UHFFFAOYSA-N
InChI
InChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);
Names and Synonyms
- Phenytoin Sodium Common Name
- Danten Synonym
- Tacosal Synonym
- 2,4-Imidazolidinedione, 5,5-diphenyl-, sodium salt (1:1) Synonym
- Hydantoin, 5,5-diphenyl-, sodium salt Synonym
- 2,4-Imidazolidinedione, 5,5-diphenyl-, monosodium salt Synonym
- 5,5-Diphenylhydantoin sodium Synonym
- Phenytoin sodium Synonym
- Sodium 5,5-diphenylhydantoin Synonym
- Sodium 5,5-diphenyl-2,4-imidazolidinedione Synonym
- Sodium phenytoin Synonym
- Soluble Phenytoin Synonym
- Difhydan Synonym
- Sodium diphenylhydantoin Synonym
- Diphenylhydantoin sodium Synonym
- Dilantin Synonym
- Hydantoinal Synonym
- Sodium diphenylhydantoinate Synonym
- Diphenin Synonym
- Difenin Synonym
- Antisacer Synonym
- Fenitoin sodium Synonym
- Eptoin Synonym
- Epelin Synonym
- Ditoin Synonym
- Epilan D Synonym
- Enkefal Synonym
- Diphenine Synonym
- Epanutin Synonym
- Solantyl Synonym
- Epsolin Synonym
- Aleviatin sodium Synonym
- Hydantin Synonym
- Diphenylan sodium Synonym
- Diphantoine Synonym
- Phenytoin soluble Synonym
- Minetoin Synonym
- M-toin Synonym
- Phenyloin Synonym
- Prompt Synonym
- 5,5-Diphenyl-2,4-imidazolidinedione sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.26 g/mol | CAS Common Chemistry |
| 275.263 g/mol | RDKit | |
| 276.271 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1NC(=O)C(N1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19); | CAS Common Chemistry |
| InChI Key | InChIKey=JBSMSVZHETUQQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phenytoin sodium | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 2.4334999999999996 | RDKit |
| 2.4335 | RDKit | |
| Molar Refractivity | 79.54560000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 275.079646904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 275.26 g/mol. Edit any field — others recompute live.
