Indole-13C8,15N

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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 Number	1337952-53-0
PubChem CID	168007010
IUPAC Name	1H-indole
Molecular Formula	C8H7N
Molecular Weight	126.083
XLogP	2.1
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	101

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

CAS: 1337952-53-0

CID: 168007010

Formula: C8H7N

MW: 126.083

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	126.083
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	126.08172280
Monoisotopic Mass	126.08172280
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
Isotope Atom Count	9
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-W768963	2- (1-Cyanoethyl) indole-13C2,15N
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HY-158992S	SP- (Val-13C5,15N) -EKNQ- (Leu-13C6,15N) -TIDFINIVKDPVPHNEYKT (TFA)
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HY-17469S	Gimeracil-13C3,15N
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Alternative Products

Catalog	Name
TRC-I614993-2.5MG	Indole-3-carboxaldehyde- 13C8
RG-I140404-01	Indole-3-Carboxaldehyde-13C8
TRC-C981922-10MG	2-(Cyanomethyl)indole-13C,15N
414129-01	2- (Cyanomethyl) indole-13C,15N
sc-280831	Indole-2-acetonitrile-13C2, 15N
462224	Perchlorostyrene-13C8
TRC-A164014-25MG	Acetophenone-13C8
CS-O-02773	Lacidipine-13C8
AR-C07188-01	Chlorothalonil-13C8
326686-01	Olfactory Receptor 13C8

Indole-13C8,15N

Chemical Information

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