R-Desmethyl Mirtazapine - CAS 135928-35-7

Catalog:	BB068427
Product Name:	R-Desmethyl Mirtazapine
CAS:	135928-35-7
Synonyms:	(14bR)-1,2,3,4,10,14b-Hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine;(-)-Demethylmirtazapine;(-)-N-Desmethylmirtazapine;R-(-)-Demethylmirtazapine;R-(-)-Normirtazapine

Technical Data

IUPAC Name:	(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
Description:	R-Desmethyl Mirtazapine is an intermediate in the synthesis of R-Mirtazapine-d3 (M364997), labelled R-Mirtazapine, an enantiomer of Mirtazapine (M365000); an antidepressant. R-Mirtazapine showed antinociceptive effects in acute thermal nociception, whereas S-Mirtazapine showed pronociceptive effects.
Molecular Weight:	251.33
Molecular Formula:	C16H17N3
Canonical SMILES:	C1CN2C(CN1)C3=CC=CC=C3CC4=C2N=CC=C4
InChI:	InChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2/t15-/m0/s1
InChI Key:	FGLAMNFOHWVQOH-HNNXBMFYSA-N
References:	Muth-Selbach, Uta., et al. Brain Res. Bull., 79(1), 63-68 (2009); Smith, Donald F., et al. Psychopharmacology, 200(2), 273-279 (2008); Freynhagen, Rainer., et al. Brain Res. Bull., 69(2), 168-173 (2006).

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	251.142247555
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.142247555
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8