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Chemical structure of Skatole-d3

GC69908

Skatole-d3

Also known as 3-(trideuteriomethyl)-1H-indole

Skatole-d3 is the deuterated form of Skatole· Skatole is a substance produced by intestinal bacteria that activates aryl hydrocarbon receptors and regulates intestinal epithelial cell function through p38 activation

ChemicalCAS111399-60-1MW134.19FormulaC9H6D3N
CAS number
111399-60-1
Molecular weight
134.19
Formula
C9H6D3N
Solubility
DMSO ： 100 mg/mL (745·21 mM; Need ultrasonic); DMSO ： ≥ 50 mg/mL (372·61 mM)
InChIKey
ZFRKQXVRDFCRJG-FIBGUPNXSA-N
Catalogue number
GC69908
Brand
GLPBIO
Computed properties PubChem CID 102339967 · XLogP 2.6 · TPSA 15.8 Ų · H-bond donors 1
XLogP
2.6
TPSA
15.8 Ų
H-bond donors
1
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
10

SMILES [2H]C([2H])([2H])C1=CNC2=CC=CC=C21

Computed descriptors from PubChem (CID 102339967), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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