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Indole-3-acetamide-d5

CAT: 0804-HY-W016784S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W016784S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Indole-3-acetamide-d5 is the deuterium labeled Indole-3-acetamide[1]. Indole-3-acetamide is a biosynthesis intermediate of indole-3-acetic acid. Indole-3-acetic acid is the most common natural plant growth hormone of the auxin class[2].
CAS Number
1204700-53-7
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Purity
99.99
Solubility
10 mM in DMSO
Smiles
[2H]C1=C([2H])C([2H])=C([2H])C2=C1NC([2H])=C2CC(N)=O
Molecular Formula
C10H5D5N2O
Molecular Weight
179.23
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Thomas Lehmann, et al. Indole-3-acetamide-dependent auxin biosynthesis: a widely distributed way of indole-3-acetic acid production? Eur J Cell Biol. 2010 Dec;89 (12) :895-905.
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

1H-Indole-d5-3-acetamide

See also: Indole-3-acetamide (annotation moved to).

CAS Number1204700-53-7
PubChem CID131668185
IUPAC Name2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)acetamide
Molecular FormulaC10H10N2O
Molecular Weight179.23
XLogP0.8
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)N)[2H])[2H]
InChI
InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)/i1D,2D,3D,4D,6D
InChIKey
ZOAMBXDOGPRZLP-SNOLXCFTSA-N
Chemical Structure
2D Structure
2D structure of 1H-Indole-d5-3-acetamide
CAS: 1204700-53-7
CID: 131668185
Formula: C10H10N2O
MW: 179.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.23
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass179.110696676
Monoisotopic Mass179.110696676
Topological Polar Surface Area58.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count5
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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