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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 Weight: 275.263 g/mol

Names and Synonyms:

Phenytoin Sodium
5,5-Diphenyl-2,4-imidazolidinedione sodium salt
Prompt
Phenyloin
M-toin
Minetoin
Phenytoin soluble
Diphantoine
Diphenylan sodium
Hydantin
Aleviatin sodium
Epsolin
Solantyl
Epanutin
Diphenine
Enkefal
Epilan D
Ditoin
Epelin
Eptoin
Fenitoin sodium
Antisacer
Difenin
Diphenin
Sodium diphenylhydantoinate
Hydantoinal
Dilantin
Diphenylhydantoin sodium
Sodium diphenylhydantoin
Difhydan
Soluble Phenytoin
Sodium phenytoin
Sodium 5,5-diphenyl-2,4-imidazolidinedione
Sodium 5,5-diphenylhydantoin
Phenytoin sodium
5,5-Diphenylhydantoin sodium
2,4-Imidazolidinedione, 5,5-diphenyl-, monosodium salt
Hydantoin, 5,5-diphenyl-, sodium salt
2,4-Imidazolidinedione, 5,5-diphenyl-, sodium salt (1:1)
Tacosal
Danten

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 275.263 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 275.079646904 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 20 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 65.18 Ų RDKit

Physical Properties

Property Value Source
LogP 2.4334999999999996 RDKit
molecular_mass 275.26 g/mol Legacy Database
cas-canonical-smile [Na].O=C1NC(=O)C(N1)(C=2C=CC=CC2)C=3C=CC=CC3 None Legacy Database
cas-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); None Legacy Database
cas-inchi-key InChIKey=JBSMSVZHETUQQA-UHFFFAOYSA-N None Legacy Database
cas-name Phenytoin sodium None Legacy Database

Molar

Property Value Source
Molar Refractivity 79.54560000000005 RDKit

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