Grundinformationen
- 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- Summenformel
- C17H13I4NO5
- Durchschnittliche Molmasse
- 818,91 g/mol
- Monoisotopische Masse
- 818,6973
Namen und Bezeichner
- Bevorzugter Name
- N-Acetylthyroxine
- IUPAC
- (2S)-2-acetamido-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
- Englischer Name
- N-Acetyl L-Thyroxine
- Summenformel
- C17H13I4NO5
- Molmasse
- 818.91
Namen und Synonyme
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)
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
26041-51-0- PubChem CID
- 20638380
- UNII
- G10YJB626N
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 95,9 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 515
Physikochemische Eigenschaften
- Schmelzpunkt
- 210 · 210-215 °C (decomp)
- Siedepunkt
- 671.8 · 671.8±55.0 °C(Predicted)
- Dichte
- 2.481 · 2.481±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 2.95 · 2.95±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
VerwendenN-Acetyl L-Thyroxine is the Thyroxine (T425600) analogue, a thyroid hormone for use in diagnosing and treating diabetes.
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