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Desmethylraclopride

CAS No.:
119670-11-0
Catalog Number:
AG000PFN
Molecular Formula:
C14H18Cl2N2O3
Molecular Weight:
333.2103
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
>98.0%(T)(HPLC)
1 week
United States
$181
- +
1g
>98.0%(T)(HPLC)
1 week
United States
$537
- +
Product Description
Catalog Number:
AG000PFN
Chemical Name:
Desmethylraclopride
CAS Number:
119670-11-0
Molecular Formula:
C14H18Cl2N2O3
Molecular Weight:
333.2103
MDL Number:
MFCD02179385
IUPAC Name:
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dihydroxybenzamide
InChI:
InChI=1S/C14H18Cl2N2O3/c1-2-18-5-3-4-8(18)7-17-14(21)11-12(19)9(15)6-10(16)13(11)20/h6,8,19-20H,2-5,7H2,1H3,(H,17,21)/t8-/m0/s1
InChI Key:
DPQOMEPZWBXAMA-QMMMGPOBSA-N
SMILES:
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1O)Cl
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
332.069g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
333.209g/mol
Monoisotopic Mass:
332.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties