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diperdipine

CAS No.:
108852-42-2
Catalog Number:
AG009OGS
Molecular Formula:
C24H31N3O6
Molecular Weight:
457.5194
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$390
- +
5mg
99%
1 week
United States
$723
- +
Product Description
Catalog Number:
AG009OGS
Chemical Name:
diperdipine
CAS Number:
108852-42-2
Molecular Formula:
C24H31N3O6
Molecular Weight:
457.5194
MDL Number:
MFCD09833170
IUPAC Name:
3-O-ethyl 5-O-(2-piperidin-1-ylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C24H31N3O6/c1-4-32-23(28)20-16(2)25-17(3)21(22(20)18-9-8-10-19(15-18)27(30)31)24(29)33-14-13-26-11-6-5-7-12-26/h8-10,15,22,25H,4-7,11-14H2,1-3H3
InChI Key:
LBSRZVRITCRLIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCCCC1)C
Properties
Complexity:
810  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.221g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
457.527g/mol
Monoisotopic Mass:
457.221g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties