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Ropitoin

CAS No.:
56079-81-3
Catalog Number:
AG00DI80
Molecular Formula:
C30H33N3O3
Molecular Weight:
483.6013
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$807
- +
Product Description
Catalog Number:
AG00DI80
Chemical Name:
Ropitoin
CAS Number:
56079-81-3
Molecular Formula:
C30H33N3O3
Molecular Weight:
483.6013
MDL Number:
MFCD00864720
IUPAC Name:
5-(4-methoxyphenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C30H33N3O3/c1-36-27-15-13-26(14-16-27)30(25-11-6-3-7-12-25)28(34)33(29(35)31-30)20-8-19-32-21-17-24(18-22-32)23-9-4-2-5-10-23/h2-7,9-16,24H,8,17-22H2,1H3,(H,31,35)
InChI Key:
QAKVGHCHHKKDBQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(NC(=O)N(C1=O)CCCN1CCC(CC1)c1ccccc1)c1ccccc1
Properties
Complexity:
732  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.252g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
483.612g/mol
Monoisotopic Mass:
483.252g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties