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NSC 1940-d8

CAT: 0804-HY-Y0226S1-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0226S1-01Size:5 mg
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Description
NSC 1940-d8 is the deuterium labeled NSC 1940[1].
CAS Number
1219799-33-3
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C(C1([2H])C([2H])([2H])C1([2H])[2H])=O
Molecular Formula
C5D8O
Molecular Weight
92.17
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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

Cyclopropyl methyl ketone-d8
CAS Number1219799-33-3
PubChem CID131869306
IUPAC Name2,2,2-trideuterio-1-(1,2,2,3,3-pentadeuteriocyclopropyl)ethanone
Molecular FormulaC5H8O
Molecular Weight92.17
XLogP0.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity72
SMILES
[2H]C1(C(C1([2H])C(=O)C([2H])([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3/i1D3,2D2,3D2,5D
InChIKey
HVCFCNAITDHQFX-IFYAQWLYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopropyl methyl ketone-d8
CAS: 1219799-33-3
CID: 131869306
Formula: C5H8O
MW: 92.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight92.17
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass92.107728842
Monoisotopic Mass92.107728842
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity72
Isotope Atom Count8
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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