Esmirtazapine hydrochlorideProduct ingredient for Esmirtazapine
- Name
- Esmirtazapine hydrochloride
- Drug Entry
- Esmirtazapine
Esmirtazapine, known by the standardized identifier SCH 900265, was under development by Organon to treat insomnia and vasomotor symptoms associated with menopause. Esmirtazapine is the (S)-(+)-enantiomer of mirtazapine and possesses similar overall pharmacology. This includes inverse agonist activity of H1 and 5-HT2 receptors and antagonism of α2-adrenergic receptors. Merck has terminated its internal clinical development program for esmirtazapine as of March 2010.
- Accession Number
- DBSALT002352
- Structure
Structure for Esmirtazapine hydrochloride (DBSALT002352)
- Synonyms
- Not Available
- UNII
- J12BQ47O1N
- CAS Number
- 1448014-35-4
- Weight
- Average: 301.82
Monoisotopic: 301.1345754 - Chemical Formula
- C17H20ClN3
- InChI Key
- SISMRXGXKXMBKT-PKLMIRHRSA-N
- InChI
- InChI=1S/C17H19N3.ClH/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;1H/t16-;/m1./s1
- IUPAC Name
- (7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8,10,12,16,18-hexaene hydrochloride
- SMILES
- Cl.CN1CCN2[C@H](C1)C1=CC=CC=C1CC1=C2N=CC=C1
- External Links
- ChemSpider
- 58827960
- Predicted Properties
Property Value Source Water Solubility 1.1 mg/mL ALOGPS logP 2.9 ALOGPS logP 3.21 Chemaxon logS -2.4 ALOGPS pKa (Strongest Basic) 6.67 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 19.37 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 82.66 m3·mol-1 Chemaxon Polarizability 30.27 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon