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65567-34-2 molecular structure
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(5S)-5-ethyl-5-phenylimidazolidine-2,4-dione

ChemBase ID: 155540
Molecular Formular: C11H12N2O2
Molecular Mass: 204.22518
Monoisotopic Mass: 204.08987763
SMILES and InChIs

SMILES:
CC[C@@]1(C(=O)NC(=O)N1)c1ccccc1
Canonical SMILES:
CC[C@]1(NC(=O)NC1=O)c1ccccc1
InChI:
InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)/t11-/m0/s1
InChIKey:
UDTWZFJEMMUFLC-NSHDSACASA-N

Cite this record

CBID:155540 http://www.chembase.cn/molecule-155540.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5S)-5-ethyl-5-phenylimidazolidine-2,4-dione
IUPAC Traditional name
(5S)-5-ethyl-5-phenylimidazolidine-2,4-dione
Synonyms
S-(+)-Nirvanol, S-(+)-5-Ethyl-5-phenylhydantoin
S-(+)-N-Desmethyl Mephenytoin
(S)-(+)-5-Ethyl-5-phenyl-2,4-imidazolidinedione
(S)-(+)-5-Ethyl-5-phenylhydantoin
(S)-(+)-Nirvanol
CAS Number
65567-34-2
MDL Number
MFCD00272652
PubChem SID
162249678
PubChem CID
6540813

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6540813 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.824812  H Acceptors
H Donor LogD (pH = 5.5) 1.441477 
LogD (pH = 7.4) 1.439886  Log P 1.4414972 
Molar Refractivity 54.6413 cm3 Polarizability 21.230413 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Apperance
off-white expand Show data source
White to Off-White Solid expand Show data source
Melting Point
195-200°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
RTECS
MU2452000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C11H12N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - UC180 external link
Biochem/physiol Actions
CYP2B6 metabolite of (R)-(-)-mephenytoin; anticonvulsant; hypnotic.
Toronto Research Chemicals - D292070 external link
An anticonvulsant, hypnotic. A metabolite of Mephentoin.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Knabe, J., et al.: Arch. Phar., 313, 538 (1980)
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PATENTS

PATENTS

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INTERNET

INTERNET

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