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CEP-Lysine-d4

CAT: 0804-HY-165680S-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-165680S-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CEP-Lysine-d4 is deuterium labeled CEP-Lysine[1].
CAS Number
2702446-72-6
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
OC(C([2H])(C([2H])(C1=CC=CN1CCCC[C@@H](C(O)=O)N)[2H])[2H])=O
Molecular Formula
C13H16D4N2O4
Molecular Weight
272.33
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

CEP-Lysine-d4
CAS Number2702446-72-6
PubChem CID137699808
IUPAC Name(2S)-2-amino-6-[2-(2-carboxy-1,1,2,2-tetradeuterioethyl)pyrrol-1-yl]hexanoic acid
Molecular FormulaC13H20N2O4
Molecular Weight272.33
XLogP-2.1
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count19
Formal Charge0
Complexity309
SMILES
[2H]C([2H])(C1=CC=CN1CCCC[C@@H](C(=O)O)N)C([2H])([2H])C(=O)O
InChI
InChI=1S/C13H20N2O4/c14-11(13(18)19)5-1-2-8-15-9-3-4-10(15)6-7-12(16)17/h3-4,9,11H,1-2,5-8,14H2,(H,16,17)(H,18,19)/t11-/m0/s1/i6D2,7D2
InChIKey
GUYNPRDOGAXJKQ-YUQOGSRCSA-N
Chemical Structure
2D Structure
2D structure of CEP-Lysine-d4
CAS: 2702446-72-6
CID: 137699808
Formula: C13H20N2O4
MW: 272.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.33
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass272.16741411
Monoisotopic Mass272.16741411
Topological Polar Surface Area106 Ų
Heavy Atom Count19
Formal Charge0
Complexity309
Isotope Atom Count4
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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