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Nitroxazepine

CAT: 1410-M24422-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M24422-01Size:5 mg
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Description
Nitroxazepine is a serotonin-norepinephrine reuptake inhibitor, and treatment depression. Nitroxazepine is a tricyclic antidepressant (TCA) for the research of depression
CAS Number
47439-36-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
341.36
Molecular Formula
C18H19N3O4
Notes
Research use only, not for human use.
Receptor
Serotonin-norepinephrine reuptake

Chemical Information

10-(3-(dimethylamino)propyl)-2-nitrodibenz(b,f)(1,4)-oxazepin-11(10H)-one

Nitroxazepine is an aromatic ether.

CAS Number47439-36-1
PubChem CID27857
IUPAC Name5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one
Molecular FormulaC18H19N3O4
Molecular Weight341.4
XLogP2.8
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity493
SMILES
CN(C)CCCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H19N3O4/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)25-16-9-8-13(21(23)24)12-14(16)18(20)22/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
CGYWLLGTCBIGSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-(3-(dimethylamino)propyl)-2-nitrodibenz(b,f)(1,4)-oxazepin-11(10H)-one
CAS: 47439-36-1
CID: 27857
Formula: C18H19N3O4
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass341.13755610
Monoisotopic Mass341.13755610
Topological Polar Surface Area78.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes