Esmirtazapine
(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
Molecular Identity
Esmirtazapine
(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
PubChem CID: 3085218
2D Structure
Properties
C17H19N3
Molecular Formula
265.35
Molecular Weight
g/mol
265.1579
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
19.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
345
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Esmirtazapine(S)-Mirtazapine61337-87-9(+)-Mirtazapine(s)-6-azamianserinMirtazapine, (s)-(s)-org 3770esmirtazapinaOrg-44-20(S)-1,2,3,4,10,14b-Hexahydro-2-methylpyrazino(2,1-a)pyrido(2,3-c)(2)benzazepine4685R51V7MDTXSID001029320(S)-1,2,3,4,10,14b-hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepineesmirtazapinumRefChem:137870
Data from PubChem (NCBI)
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