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DL-Histidine-d3

CAT: 0804-HY-W010209S2-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W010209S2-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DL-Histidine-d3 is the deuterium labeled DL-Histidine.
CAS Number
344299-50-9
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|H2O : 25mg/mL (ultrasonic)
Smiles
OC(C(N)([2H])C([2H])([2H])C1=CN=CN1)=O
Molecular Formula
C6H6D3N3O2
Molecular Weight
158.17
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
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

DL-Histidine-alpha,beta,beta-D3
CAS Number344299-50-9
PubChem CID90472119
IUPAC Name2-amino-2,3,3-trideuterio-3-(1H-imidazol-5-yl)propanoic acid
Molecular FormulaC6H9N3O2
Molecular Weight158.17
XLogP-3.2
Topological Polar Surface Area92
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
[2H]C([2H])(C1=CN=CN1)C([2H])(C(=O)O)N
InChI
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i1D2,5D
InChIKey
HNDVDQJCIGZPNO-WSWICNJZSA-N
Chemical Structure
2D Structure
2D structure of DL-Histidine-alpha,beta,beta-D3
CAS: 344299-50-9
CID: 90472119
Formula: C6H9N3O2
MW: 158.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.17
XLogP3-3.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass158.088306776
Monoisotopic Mass158.088306776
Topological Polar Surface Area92 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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