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113502-52-6,MFCD22048820
Catalog No.:AA0008Q4
113502-52-6 | 1H-Pyrrolizin-1-one, 5-benzoyl-2,3-dihydro-
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25mg
95%+
2 weeks  
$469.00   $328.00
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100mg
95%+
2 weeks  
$894.00   $626.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0008Q4
Chemical Name:
1H-Pyrrolizin-1-one, 5-benzoyl-2,3-dihydro-
CAS Number:
113502-52-6
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
MDL Number:
MFCD22048820
IUPAC Name:
5-benzoyl-2,3-dihydropyrrolizin-1-one
InChI:
InChI=1S/C14H11NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7H,8-9H2
InChI Key:
NFKBMHXYCKRXPQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2n1CCC2=O)c1ccccc1
UNII:
AD3BGE2V2U
Properties
Computed Properties
 
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
113502-52-6 
5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one 
Ketorolac trometamol specified impurity B [EP] 
SCHEMBL1423217 
CTK0C9403 
DTXSID10150429 
Ketorolac tromethamine impurity, ketorolac 1-keto analog- [USP] 
ZINC67665122 
AKOS030239639 
5-benzoyl-2,3-dihydro-pyrrolizin-1-one 
FT-0670639 
5-BENZOYL-2,3-DIHYDROPYRROLIZIN-1-ONE 
1H-Pyrrolizin-1-one, 5-benzoyl-2,3-dihydro- 
5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (Ketorolac 1-Keto Analog) 
1h-pirrolizin-1-ona, 5-benzoil-2,3-dihidro- 
UNII-AD3BGE2V2U 
AD3BGE2V2U 
5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-one 
Ketorolac related compound C 
1-Keto Ketorolac 
Ketorolac related compound C [USP] 
ACMC-20midz 
Literature
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