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About This Item
Empirical Formula (Hill Notation):
C15H11I3NO4 · Na · xH2O
CAS Number:
Molecular Weight:
672.96 (anhydrous basis)
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Quality Level
assay
95%
form
powder
optical activity
[α]22/D +21.5°, c = 2 in 1 N HCl: ethanol, 1:2
color
white to light pink
mp
205 °C (dec.) (lit.)
SMILES string
O.[Na+].N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O
InChI
1S/C15H12I3NO4.Na.H2O/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-4,6,12,20H,5,19H2,(H,21,22);;1H2/q;+1;/p-1/t12-;;/m0../s1
InChI key
IRGJMZGKFAPCCR-LTCKWSDVSA-M
Gene Information
human ... THRA(7067), THRB(7068)
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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