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Amoxapine-d8

CAT: 0804-HY-B0991S-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0991S-01Size:10 mg
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Description
Amoxapine-d8 is the deuterium labeled Amoxapine. Amoxapine (CL-67772) is a norepinephrine reuptake blocker and a 5-HT2/5-HT3 antagonist. Amoxapine can be used for the research of depression. Amoxapine has antibacterial activity. Amoxapine can enhance the killing effect of macrophages on mycobacterium by inducing autophagy, while protecting the cells from death[1][2][3][4].
CAS Number
1189671-27-9
Product Name Alternative
CL-67772-d8
UNSPSC
12352005
Target
Autophagy; Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Autophagy; Others
Field of Research
Infection; Inflammation/Immunology; Neurological Disease; Cardiovascular Disease
Solubility
10 mM in DMSO
Smiles
ClC1=CC=C2OC3=CC=CC=C3N=C(N4C([2H])([2H])C([2H])([2H])NC([2H])([2H])C4([2H])[2H])C2=C1
Molecular Formula
C17H8D8ClN3O
Molecular Weight
321.83
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Wang J, et al. FDA-Approved Amoxapine Effectively Promotes Macrophage Control of Mycobacteria by Inducing Autophagy. Microbiol Spectr. 2022 Oct 26;10 (5) :e0250922.|[3]Delgado C, et al. Electrophysiological effects of amoxapine in untreated and in amoxapine-pretreated rat atria. Br J Pharmacol. 1986 Feb;87 (2) :317-25.|[4]Maudhuit C, et al. Effects of acute and chronic treatment with amoxapine and cericlamine on the sleep-wakefulness cycle in the rat. Neuropharmacology. 1994 Aug;33 (8) :1017-25.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2-Chloro-11-[(2,2,3,3,5,5,6,6-~2~H_8_)piperazin-1-yl]dibenzo[b,f][1,4]oxazepine
CAS Number1189671-27-9
PubChem CID46780378
IUPAC Name8-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)benzo[b][1,4]benzoxazepine
Molecular FormulaC17H16ClN3O
Molecular Weight321.8
XLogP2.6
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity424
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl)([2H])[2H])[2H]
InChI
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2/i7D2,8D2,9D2,10D2
InChIKey
QWGDMFLQWFTERH-UFBJYANTSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-11-[(2,2,3,3,5,5,6,6-~2~H_8_)piperazin-1-yl]dibenzo[b,f][1,4]oxazepine
CAS: 1189671-27-9
CID: 46780378
Formula: C17H16ClN3O
MW: 321.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight321.8
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass321.1484038
Monoisotopic Mass321.1484038
Topological Polar Surface Area36.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity424
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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