Triiodothyronine

C₁₅H₁₂I₃NO₄CAS 6893-02-3650.98 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Phenol Primary amine

Properties

Molecular formula: C₁₅H₁₂I₃NO₄
Molar mass: 650.98 g/mol
Exact mass: 650.7900 Da
Melting point: 236.5 °C (decomposes)
Water solubility: 3.96 mg/L (37 °C)
logP: 3.95Crippen estimate
Polar surface area: 92.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation98.9% of notifiers
H319 Causes serious eye irritation98.9% of notifiers
H335 May cause respiratory irritation98.3% of notifiers

Aggregated from 174 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6893-02-3

SMILES

N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O

InChIKey

AUYYCJSJGJYCDS-LBPRGKRZSA-N

InChI

InChI=1S/C15H12I3NO4/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)/t12-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all

L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-
Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-
Thyronine, 3,3′,5-triiodo-, L-
O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine
T3 (Amino acid)
Liothyronine
Tresitope
L-3,3′,5-Triiodothyronine
3,5,3′-Triiodothyronine
Triiodo-L-thyronine
3,3′,5-Triiodothyronine
3,3′,5-Triiodo-L-thyronine
L-Liothyronine
Liothyronin
L-T3
L-Triiodothyronine
T3
T3 (Hormone)
4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine
NSC 80203
Cyronine
(2S)-2-Azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
(S)-2-Amino-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)propanoicacid

Work with Triiodothyronine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Liothyronine sodium55-06-1Salt

Similar compounds

Diiodothyronine1041-01-678 % similar 3,3′-Diiodo-L-thyronine4604-41-577 % similar (+-)-Thyroxine300-30-174 % similar (-)-Thyroxine51-48-974 % similar D-Thyroxine51-49-074 % similar 3-Iodo-L-tyrosine70-78-072 % similar Triac51-24-162 % similar 3',5'-Diiodo-L-tyrosine300-39-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Reverse triiodothyronine5817-39-0

Elsewhere

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