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Prometon-d14

CAT: 0804-HY-W414805SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W414805SSize:1 mg
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Description
Prometon-d14 is the deuterium labeled Prometon[1].
CAS Number
1219803-45-8
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.4
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])NC1=NC(OC)=NC(NC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])=N1
Molecular Formula
C10H5D14N5O
Molecular Weight
239.38
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
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Prometon-d14 (di-iso-propyl-d14)
CAS Number1219803-45-8
PubChem CID129318211
IUPAC Name2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
Molecular FormulaC10H19N5O
Molecular Weight239.38
XLogP3
Topological Polar Surface Area72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity182
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC1=NC(=NC(=N1)OC)NC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI
InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)/i1D3,2D3,3D3,4D3,6D,7D
InChIKey
ISEUFVQQFVOBCY-MFVRGKIVSA-N
Chemical Structure
2D Structure
2D structure of Prometon-d14 (di-iso-propyl-d14)
CAS: 1219803-45-8
CID: 129318211
Formula: C10H19N5O
MW: 239.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.38
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass239.24683469
Monoisotopic Mass239.24683469
Topological Polar Surface Area72 Ų
Heavy Atom Count16
Formal Charge0
Complexity182
Isotope Atom Count14
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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