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Indole-13C8,15N

CAT: 0804-HY-W001132S2Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W001132S2Size:1 Each
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Description
Indole-13C8,15N is the 13C and 15N labeled Indole[1]. Indole is an endogenous metabolite.
CAS Number
1337952-53-0
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/indole-13c8-15n.html
Solubility
10 mM in DMSO
Smiles
[13C]12=[13CH][13CH]=[13CH][13CH]=[13C]1[15NH][13CH]=[13CH]2
Molecular Formula
13C8H7 15N
Molecular Weight
126.08
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

Indole-13C8,15N
CAS Number1337952-53-0
PubChem CID168007010
IUPAC Name1H-indole
Molecular FormulaC8H7N
Molecular Weight126.083
XLogP2.1
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity101
SMILES
[13CH]1=[13CH][13CH]=[13C]2[13C](=[13CH]1)[13CH]=[13CH][15NH]2
InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
InChIKey
SIKJAQJRHWYJAI-RIQGLZQJSA-N
Chemical Structure
2D Structure
2D structure of Indole-13C8,15N
CAS: 1337952-53-0
CID: 168007010
Formula: C8H7N
MW: 126.083
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.083
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass126.08172280
Monoisotopic Mass126.08172280
Topological Polar Surface Area15.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity101
Isotope Atom Count9
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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