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1216678-68-0 | Mirtazapine-D3
CAS No: 1216678-68-0 Catalog No: AG0015J3 MDL No:
Product Description
Catalog Number:
AG0015J3
Chemical Name:
Mirtazapine-D3
CAS Number:
1216678-68-0
Molecular Formula:
C17H16D3N3
Molecular Weight:
268.3713
IUPAC Name:
5-(trideuteriomethyl)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
InChI:
InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/i1D3
InChI Key:
RONZAEMNMFQXRA-FIBGUPNXSA-N
SMILES:
C([2H])(N1CCN2C(C1)c1ccccc1Cc1c2nccc1)([2H])[2H]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.177g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
268.378g/mol
Monoisotopic Mass:
268.177g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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