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Almotriptan Dimer Impurity

CAS No.:
1330166-13-6
Catalog Number:
AG009E7N
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009E7N
Chemical Name:
Almotriptan Dimer Impurity
CAS Number:
1330166-13-6
MDL Number:
MFCD28143330
IUPAC Name:
2-[5-[[3-[2-(dimethylamino)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-2-yl]methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
InChI:
InChI=1S/C30H41N5O2S/c1-33(2)15-11-24-20-31-28-9-7-22(17-26(24)28)19-30-25(12-16-34(3)4)27-18-23(8-10-29(27)32-30)21-38(36,37)35-13-5-6-14-35/h7-10,17-18,20,31-32H,5-6,11-16,19,21H2,1-4H3
InChI Key:
VDRAYCJVAGIHOY-UHFFFAOYSA-N
Properties
Complexity:
855  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
535.298g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
535.751g/mol
Monoisotopic Mass:
535.298g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties