Mirtazapine EP Impurity B

CAT: 1299-RM-M202602-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M202602-01Size:10 mg

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CAS Number

61337-89-1

Synonyms

[2-[ (2RS) -4-Methyl-2-phenylpiperazin-1-yl]pyridin-3-yl]methanol

Molecular Formula

C17H21N3O

Molecular Weight

283.37

Target Alternative Name

Mirtazapine

Product Name Synonym

[2-[ (2RS) -4-Methyl-2-phenylpiperazin-1-yl]pyridin-3-yl]methanol

Chemical Information

Acyclomirtazapine alcohol

CAS Number	61337-89-1
PubChem CID	10221435
IUPAC Name	[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol
Molecular Formula	C17H21N3O
Molecular Weight	283.37
XLogP	1.8
Topological Polar Surface Area	39.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	319

SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)CO

InChI

InChI=1S/C17H21N3O/c1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14/h2-9,16,21H,10-13H2,1H3

InChIKey

PYZPABZGIRHQTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61337-89-1

CID: 10221435

Formula: C17H21N3O

MW: 283.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.37
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	283.168462302
Monoisotopic Mass	283.168462302
Topological Polar Surface Area	39.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-M202601-01	Mirtazapine EP Impurity A
RM-M202605-01	Mirtazapine EP Impurity E
RM-M202603-01	Mirtazapine EP Impurity C
RM-M202606-01	Mirtazapine EP Impurity F
RM-M202604-01	Mirtazapine EP Impurity D (N-Desmethyl Mirtazapine)
RM-I140401-01	Indometacin EP Impurity A; Bezafibrate EP Impurity B; Acemetacin EP Impurity A; Clopamide EP Impurity B
RM-C061202-01	Cefalexin EP Impurity B; Cefadroxil EP Impurity B; Cefradine EP Impurity A
RM-O132302-01	Omeprazole EP Impurity B; Esomeprazole EP Impurity B
RG-C180501-01	Amylmetacresol EP Impurity B; Metacresol EP Impurity B
RM-T081502-01	Theophylline EP Impurity B; Pentoxifylline EP Impurity B

Catalog	Name
018937	1-Oxo Mirtazapine (Mirtazapine Impurity C)
286119-01	10-Oxo mirtazapine (mirtazapine impurity F)
CS-T-58857	Mirtazapine EP Impurity A / Mirtazapine N-oxide
AR-M02056-01	Mirtazapine Impurity 3
AR-M02057-01	Mirtazapine Impurity 4
AR-M02055-01	Mirtazapine Impurity 2
AR-M02046-01	Mirtazapine Carbonitrile Impurity
AR-M02054-01	Mirtazapine Impurity 1
AR-M00989-01	Mirtazapine EP Impurity A
sc-478218	1-Oxo Mirtazapine-d4 (Mirtazapine Impurity C)