levothyroxine N-methylamide

HCID 178912914CAS 2088032-52-2
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Basic information

Standard SMILES
CNC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
InChIKey
KRYBBJJOQJVIIZ-ZDUSSCGKSA-N
Molecular formula
C16H14I4N2O3
Average molar mass
789.91 g/mol

Names & identifiers

Preferred name
levothyroxine N-methylamide
IUPAC
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-N-methylpropanamide
English name
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-N-methylpropanamide
Molecular formula
C16H14I4N2O3
Molecular weight
789.91184

Names & synonyms

levothyroxine N-methylamide2088032-52-2(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-N-methylpropanamide(S)-2-AMINO-3-(4-(4-HYDROXY-3,5-DIIODOPHENOXY)-3,5-DIIODOPHENYL)-N-METHYLPROPANAMIDEL-Thyroxine-N-methylamideC16H14I4N2O32CL6R2777JQ27254561(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-N-methyl-propanamideLEVOTHYROXINE SODIUM IMPURITY, LEVOTHYROXINE N-METHYLAMIDE- [USP IMPURITY]Liothyronine Impurity 13Levothyroxine Impurity 49
Show more names
N-Methylamide LevothyroxineLevothyroxine USP Impurity bN-Methylamide Levothyroxine HClLevothyroxine N-Methylamide (USP)Levothyroxine Methyl Amide Impurity(S)-2-Amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-N-methylpropanamid

Database identifiers

CAS
2088032-52-2
UNII
2CL6R2777J

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
84.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

Physicochemical properties

Boiling point
623.2 · 623.2±55.0 °C(Predicted)
Density
2.448 · 2.448±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
solubility
10 mg/ml,DMSO: · DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: Slightly soluble,PBS (pH 7.2): 0.20 mg/ml
form
A solid
pka
6.9 · 6.90±0.25(Predicted)

Chemistry & industry

Applications · 1 item

Uses(S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)-N-methylpropanamide is an impurity of levothyroxine. Levothyroxine is an impurity of Thyroxine (T425600), one of the thyroid hormones involved in the maintenance of metabolic homeostasis, synthesized and stored as amino acid residues of thyroglobulin, the major protein component of the thyroid follicular colloid. Synthesis and secretion are regulated by the pituitary hormone (TSH). Deiodinated in peripheral tissues to the active metabolite, liothyronine.

Suppliers30 total

天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

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