N-Acetylthyroxine

HCID 20638380CAS 26041-51-0

Basic information

Standard SMILES
CC(=O)N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
InChIKey
NERGVJCCFAPEMR-AWEZNQCLSA-N
Molecular formula
C17H13I4NO5
Average molar mass
818.91 g/mol
Monoisotopic mass
818.6973

Names & identifiers

Preferred name
N-Acetylthyroxine
IUPAC
(2S)-2-acetamido-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
English name
N-Acetyl L-Thyroxine
Molecular formula
C17H13I4NO5
Molecular weight
818.91

Names & synonyms

N-Acetylthyroxine26041-51-0N-Acetyl-L-thyroxineN-Acetyl-T4N-Acetyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosineThyroxine, N-acetyl-, L-L-Tyrosine, N-acetyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-UNII-G10YJB626NG10YJB626NLevothyroxine sodium impurity, N-acetyl-t4-(USP)Levothyroxine sodium impurity, N-acetyl-t4-[USP]LEVOTHYROXINE SODIUM IMPURITY, N-ACETYL-T4-(USP IMPURITY)
Show more names
Levothyroxine?USB EN-Acetyl L-Thyroxine(>90%)Levothyroxine Sodium Impurity ELevothyroxine Related Compound 5Levothyroxine N-acetamide ImpurityLEVOTHYROXINE N-ACETYL IMPURITY (USP)
LEVOTHYROXINE SODIUM IMPURITY, N-ACETYL-T4-[USP IMPURITY]RefChem:202069N-Acetyl L-Thyroxine(S)-2-Acetamido-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid(2S)-2-acetamido-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acidLevothyroxine N-Acetyl ImpurityN-Acetyl-L-Thyroxine (N-Acetyllevothyroxine)C17H13I4NO5

Database identifiers

CAS
26041-51-0
PubChem CID
20638380
UNII
G10YJB626N

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
95.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

Physicochemical properties

Melting point
210 · 210-215 °C (decomp)
Boiling point
671.8 · 671.8±55.0 °C(Predicted)
Density
2.481 · 2.481±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Chemistry & industry

Applications

UsesN-Acetyl L-Thyroxine is the Thyroxine (T425600) analogue, a thyroid hormone for use in diagnosing and treating diabetes.

Suppliers45 total

天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

7 records

Linked notes

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