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1497-17-2 molecular structure
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3-methyl-3-phenylpyrrolidine-2,5-dione

ChemBase ID: 138098
Molecular Formular: C11H11NO2
Molecular Mass: 189.21054
Monoisotopic Mass: 189.0789786
SMILES and InChIs

SMILES:
CC1(CC(=O)NC1=O)c1ccccc1
Canonical SMILES:
O=C1NC(=O)CC1(C)c1ccccc1
InChI:
InChI=1S/C11H11NO2/c1-11(7-9(13)12-10(11)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13,14)
InChIKey:
UDESUGJZUFALAM-UHFFFAOYSA-N

Cite this record

CBID:138098 http://www.chembase.cn/molecule-138098.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-3-phenylpyrrolidine-2,5-dione
IUPAC Traditional name
3-methyl-3-phenylpyrrolidine-2,5-dione
Synonyms
3-Methyl-3-phenyl-2,5-pyrrolidinedione
2-Methyl-2-phenylsuccinimide
(+/-)-α-Methyl-α-phenylsuccinimide
N-Demethylmethsuximide
N-Desmethylmethsuximide
N-Normethsuximide
α-Methyl-α-phenylsuccinimide
Normesuximide
3-methyl-3-phenylpyrrolidine-2,5-dione
α-Methyl-α-phenylsuccinimide
2-Methyl-2-phenylsuccinimide
α-甲基-α-苯基琥珀酰亚胺
2-甲基-2-苯基琥珀酰亚胺
CAS Number
1497-17-2
EC Number
216-091-7
MDL Number
MFCD00005496
PubChem SID
162232356
24888515
PubChem CID
92154

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.076927  H Acceptors
H Donor LogD (pH = 5.5) 1.2393216 
LogD (pH = 7.4) 1.2384306  Log P 1.239333 
Molar Refractivity 51.4519 cm3 Polarizability 20.086967 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
74-78°C expand Show data source
79 - 81°C expand Show data source
83-85 °C(lit.) expand Show data source
Hydrophobicity(logP)
0.905 expand Show data source
Storage Condition
Refrigerator expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C11H11NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 860581 external link
Packaging
1 g in glass bottle
250 mg in glass bottle
Toronto Research Chemicals - N720500 external link
A metabolite of calcium channel succinimide antiepileptic drug Methsuximide. Anticonvulsant.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Herrington, J., et al.: J. Neurophysiol., 68, 213 (1992)
  • • Steriade, M., et al.: Science, 262, 679 (1992)
  • • Zhang, Y., et al.: Epilepsy Res., 23, 15 (1992)
  • • Lee, J., et al.: Biophys. J., 77, 3034 (1992)
  • • Todorovic, S., et al.: Mol.Pharmacol., 58, 98 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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