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Dibenzo[b, e][1,4]dioxin-d8

CAT: 0804-HY-W094748SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W094748SSize:1 mg
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Description
Dibenzo[b, e][1,4]dioxin-d8 is the deuterium labeled Dibenzo[b, e][1,4]dioxin[1].
CAS Number
69699-83-8
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C1=C2OC3=C([2H])C([2H])=C([2H])C([2H])=C3OC2=C([2H])C([2H])=C1[2H]
Molecular Formula
C12D8O2
Molecular Weight
192.24
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Dibenzo-P-dioxin-D8
CAS Number69699-83-8
PubChem CID90474999
IUPAC Name1,2,3,4,6,7,8,9-octadeuteriodibenzo-p-dioxin
Molecular FormulaC12H8O2
Molecular Weight192.24
XLogP4.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity162
SMILES
[2H]C1=C(C(=C2C(=C1[2H])OC3=C(C(=C(C(=C3O2)[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKey
NFBOHOGPQUYFRF-PGRXLJNUSA-N
Chemical Structure
2D Structure
2D structure of Dibenzo-P-dioxin-D8
CAS: 69699-83-8
CID: 90474999
Formula: C12H8O2
MW: 192.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.24
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass192.102643461
Monoisotopic Mass192.102643461
Topological Polar Surface Area18.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity162
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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Alternative Products

CatalogName
sc-485202Dibenzo[b, e][1,4]dioxin
D417339Dibenzo-p-dioxin-d8
446575-01Dibenzo-​p-​dioxin
TN9496-01Dibenzo[b, e][1,4]dioxine
C5866-01Clozapine-d8 (8-Chloro-11- (4-methyl-1-piperazinyl-d8) -5H-dibenzo[b, e][1,4]diazepine, HF-1854-d8, Liponex-d8)
MBS6017082-01Clozapine-d8 (8-Chloro-11-(4-methyl-1-piperazinyl-d8)-5H-dibenzo[b,e][1,4]diazepine, HF-1854-d8, Liponex-d8)
TRC-M723812-25MG11-Morpholino-dibenzo[b,f][1,4]thiazepine-D8
TRC-E678372-50MGO-Dibenzo[b,f][1,4]thiazepinyl Quetiapine-D8
sc-497298O-Dibenzo[b, f][1,4]thiazepinyl quetiapine-D8
sc-47760911-Morpholino-dibenzo[b, f][1,4]thiazepine-D8

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