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10187-21-0,MFCD00466649
Catalog No.:AA0005QN
10187-21-0 | 1-(4-Hydroxyphenyl)pyrrolidine-2,5-dione
Pack Size
Purity
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1mg
3 weeks  
$214.00   $150.00
- +
5mg
3 weeks  
$231.00   $162.00
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250mg
95.0%
3 weeks  
$257.00   $180.00
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500mg
95.0%
3 weeks  
$428.00   $300.00
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1g
95.0%
3 weeks  
$585.00   $410.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0005QN
Chemical Name:
1-(4-Hydroxyphenyl)pyrrolidine-2,5-dione
CAS Number:
10187-21-0
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00466649
IUPAC Name:
1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C10H9NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-4,12H,5-6H2
InChI Key:
SWLPIQAFVWFMIR-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1ccc(cc1)O
Properties
Computed Properties
 
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
1-(4-hydroxyphenyl)pyrrolidine-2,5-dione 
10187-21-0 
ZINC545100 
KS-000028AF 
BBL011571 
MFCD00466649 
STK724066 
AKOS002845294 
MCULE-4152533307 
MS-3070 
SDCCGMLS-0065591.P001 
FT-0718614 
2,5-Pyrrolidinedione, 1-(4-hydroxyphenyl)- 
AB00673688-01 
1-(4-hydroxyphenyl)dihydro-1H-pyrrole-2,5-dione 
Z276376236 
CHEMBL1275863 
CID946468 
ZINC00545100 
N-(4-hydroxyphenyl)succinimide 
AC1LJ8SW 
Oprea1_336673 
SCHEMBL572883 
CTK0G7937 
DTXSID70359153 
SWLPIQAFVWFMIR-UHFFFAOYSA-N 
Literature

Title: Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays.

Journal: European journal of medicinal chemistry 20101101

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