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(±) 9 (10) -EpOME-d4

CAT: 0804-HY-139942SSize: 1 EachDry Ice: NoHazardous: No
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Description
(±) 9 (10) -EpOME-d4 is the deuterium labeled (±) 9 (10) -EpOME[1].
CAS Number
1215168-54-9
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.0
Solubility
10 mM in DMSO
Smiles
CCCCC/C([2H])=C(C[C@@]1([2H])O[C@]1(CCCCCCCC(O)=O)[2H])/[2H]
Molecular Formula
C18H28D4O3
Molecular Weight
300.47
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

8-{3-[(2,3-d2)Oct-2-en-1-yl](d2)oxiran-2-yl}octanoic acid
CAS Number1215168-54-9
PubChem CID53394657
IUPAC Name8-[2,3-dideuterio-3-(2,3-dideuteriooct-2-enyl)oxiran-2-yl]octanoic acid
Molecular FormulaC18H32O3
Molecular Weight300.5
XLogP5.6
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count21
Formal Charge0
Complexity299
SMILES
[2H]C(=C([2H])CC1(C(O1)([2H])CCCCCCCC(=O)O)[2H])CCCCC
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/i7D,10D,16D,17D
InChIKey
FBUKMFOXMZRGRB-MRIWQKTHSA-N
Chemical Structure
2D Structure
2D structure of 8-{3-[(2,3-d2)Oct-2-en-1-yl](d2)oxiran-2-yl}octanoic acid
CAS: 1215168-54-9
CID: 53394657
Formula: C18H32O3
MW: 300.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.5
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass300.26025186
Monoisotopic Mass300.26025186
Topological Polar Surface Area49.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity299
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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sc-221170(±) 9 (10) -EpOME-d4
sc-221169A(±) 9 (10) -EpOME
TMIH-0024-0110,11-Dihydro-10-hydroxycarbamazepine-d4
sc-221168A(±) 9,10-DiHOME-d4
CS-O-4864110,11-dihydro,10-Hydroxy Oxcarbazepine-D4
sc-213576B10,11-Dihydro-10-hydroxycarbazepine-D4 (Major)
S686496Octadecanoic-9,9,10,10-d4 Acid
TMIJ-0305-0110,11-Dihydro-10-hydroxy Carbamazepine-d4
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