Home Carbonyls 2-Methoxycarbonyl Loratadine

2-Methoxycarbonyl Loratadine

CAS No.:
860010-37-3
Catalog Number:
AG004M5Z
Molecular Formula:
C24H25ClN2O4
Molecular Weight:
440.9193
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Product Description
Catalog Number:
AG004M5Z
Chemical Name:
2-Methoxycarbonyl Loratadine
CAS Number:
860010-37-3
Molecular Formula:
C24H25ClN2O4
Molecular Weight:
440.9193
MDL Number:
MFCD18252594
IUPAC Name:
methyl 13-chloro-2-(1-ethoxycarbonylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylate
InChI:
InChI=1S/C24H25ClN2O4/c1-3-31-24(29)27-12-10-15(11-13-27)21-19-8-7-18(25)14-17(19)5-4-16-6-9-20(23(28)30-2)26-22(16)21/h6-9,14H,3-5,10-13H2,1-2H3
InChI Key:
QCAINJLOQVFTKT-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nc(cc3)C(=O)OC)Cl)CC1
Properties
Complexity:
702  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.15g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.924g/mol
Monoisotopic Mass:
440.15g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Literature
Title Journal
Loratadine and analogues: discovery and preliminary structure-activity relationship of inhibitors of the amino acid transporter B(0)AT2. Journal of medicinal chemistry 20141126
Properties