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Mirtazapine-d4

CAT: 0572-TRC-M365003-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M365003-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215898-55-7
Synonyms
1,2,3,4,10,14b-Hexahydro-2-methyl-pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine-d4; Org-3770-d4; Remeron-d4; Zispin-d4;
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CN1C([2H])([2H])C([2H])([2H])N2C3=NC=CC=C3CC4=C(C=CC=C4)C2C1
Molecular Formula
C17H15D4N3
Molecular Weight
269.38
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Mirtazapine-d4
CAS Number1215898-55-7
PubChem CID45359023
IUPAC Name3,3,4,4-tetradeuterio-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
Molecular FormulaC17H19N3
Molecular Weight269.38
XLogP3.3
Topological Polar Surface Area19.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity345
SMILES
[2H]C1(C(N2C(CN1C)C3=CC=CC=C3CC4=C2N=CC=C4)([2H])[2H])[2H]
InChI
InChI=1S/C17H19N3/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/i9D2,10D2
InChIKey
RONZAEMNMFQXRA-YQUBHJMPSA-N
Chemical Structure
2D Structure
2D structure of Mirtazapine-d4
CAS: 1215898-55-7
CID: 45359023
Formula: C17H19N3
MW: 269.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.38
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass269.183004603
Monoisotopic Mass269.183004603
Topological Polar Surface Area19.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity345
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
456266-01Mirtazapine-d4
HY-B0352S3Mirtazapine-d4 (hydrochloride)
CS-O-44260R-Mirtazapine-d4
CS-O-44261S-Mirtazapine-d4
AR-M02034-01Mirtazapine-d4 HCl
AR-M02036-01Desmethyl Mirtazapine-d4
sc-4782181-Oxo Mirtazapine-d4 (Mirtazapine Impurity C)
AR-M02038-018-Hydroxy mirtazapine-d4
HY-143983S-01Desmethyl Mirtazapine-d4 (hydrochloride)
AR-M04881-01Mirtazapine EP Impurity D-d4 HCl (Mirtazapine USP Related Compound A-d4 HCl, N-Desmethyl Mirtazapine-d4 HCl)

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