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Chlorocyclohexane-d11

CAT: 0804-HY-W133908SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W133908SSize:1 mg
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Description
Chlorocyclohexane-d11 is the deuterium labeled Chlorocyclohexane[1].
CAS Number
119206-70-1
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
ClC1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
Molecular Formula
C6D11Cl
Molecular Weight
129.67
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

Chlorocyclohexane-d11
CAS Number119206-70-1
PubChem CID11819102
IUPAC Name1-chloro-1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexane
Molecular FormulaC6H11Cl
Molecular Weight129.67
XLogP3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity46
SMILES
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])Cl)([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2,4D2,5D2,6D
InChIKey
UNFUYWDGSFDHCW-KAFHOZLVSA-N
Chemical Structure
2D Structure
2D structure of Chlorocyclohexane-d11
CAS: 119206-70-1
CID: 11819102
Formula: C6H11Cl
MW: 129.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.67
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass129.1239723
Monoisotopic Mass129.1239723
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity46.1
Isotope Atom Count11
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
444387-01Chlorocyclohexane-d11
RG-P022609-01Chlorocyclohexane
IDA49794-011-Chlorocyclohexane-1-carbonitrile
PDA72829-012-Chlorocyclohexane-1-carbonitrile
AAA93223-012-Chlorocyclohexane-1,3-dione
ABA88261-011-Chlorocyclohexane-1-carboxylic acid
M338324Methylcyclohexane-d11 (ring-d11)
CS-O-49155Trihexyphenidyl D11 (Cyclohexyl-d11)
G8139-05Glyburide-d11 (5-Chloro-N-[2-[4-[[[ (cyclohexylamino) carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxybenzamide-d11, Adiab-d11, Azuglucon-d11, Bastiverit-d11, Glibenclamide-d11, Glidiabet-d11, Glimidstada-d11)
MBS6087345-01Glyburide-d11 (5-Chloro-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxybenzamide-d11, Adiab-d11, Azuglucon-d11, Bastiverit-d11, Glibenclamide-d11, Glidiabet-d11, Glimidstada-d11)

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