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Chemical structure of Mirtazapine D3

GC61067

Mirtazapine D3

Also known as 5-(trideuteriomethyl)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

A Certified Reference Material

ChemicalCAS1216678-68-0MW268.37FormulaC17H16D3N3
CAS number
1216678-68-0
Molecular weight
268.37
Formula
C17H16D3N3
Solubility
DMF： 20 mg/ml,DMF：PBS (pH 7·2) (1：5)： 0·16 mg/ml,DMSO： 15 mg/ml,Ethanol： 15 mg/ml
InChIKey
RONZAEMNMFQXRA-FIBGUPNXSA-N
Catalogue number
GC61067
Brand
GLPBIO
Computed properties PubChem CID 45039945 · XLogP 3.3 · TPSA 19.4 Ų · H-bond donors 0
XLogP
3.3
TPSA
19.4 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
20

SMILES [2H]C([2H])([2H])N1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4

Computed descriptors from PubChem (CID 45039945), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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