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Phenytoin Sodium
CAS: 630-93-3 | C15H12N2NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
630-93-3
Molecular Formula:
C15H12N2NaO2
Molecular Mass:
275.26 g/mol
Names and Synonyms:
Phenytoin Sodium
Danten
Tacosal
2,4-Imidazolidinedione, 5,5-diphenyl-, sodium salt (1:1)
Hydantoin, 5,5-diphenyl-, sodium salt
2,4-Imidazolidinedione, 5,5-diphenyl-, monosodium salt
5,5-Diphenylhydantoin sodium
Phenytoin sodium
Sodium 5,5-diphenylhydantoin
Sodium 5,5-diphenyl-2,4-imidazolidinedione
Sodium phenytoin
Soluble Phenytoin
Difhydan
Sodium diphenylhydantoin
Diphenylhydantoin sodium
Dilantin
Hydantoinal
Sodium diphenylhydantoinate
Diphenin
Difenin
Antisacer
Fenitoin sodium
Eptoin
Epelin
Ditoin
Epilan D
Enkefal
Diphenine
Epanutin
Solantyl
Epsolin
Aleviatin sodium
Hydantin
Diphenylan sodium
Diphantoine
Phenytoin soluble
Minetoin
M-toin
Phenyloin
Prompt
5,5-Diphenyl-2,4-imidazolidinedione sodium salt
Identifiers:
SMILES:
OC1=NC(c2ccccc2)(c2ccccc2)C(O)=N1.[Na]
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);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.26 g/mol | CAS Common Chemistry |
| 275.263 g/mol | RDKit | |
| 275.079646904 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 79.54560000000005 | RDKit |
