Levothyroxine EP Impurity B

HCID 178750987CAS 1628720-66-0
Substructure searchFind similar structures

Basic information

Standard SMILES
N[C@@H](Cc1cc(I)c(Oc2cc(Cl)c(O)c(I)c2)c(I)c1)C(=O)O
InChIKey
MQUDMFHNJQNOJT-LBPRGKRZSA-N
Molecular formula
C15H11ClI3NO4
Average molar mass
685.42 g/mol

Names & identifiers

Preferred name
Levothyroxine EP Impurity B
IUPAC
(2S)-2-amino-3-[4-(3-chloro-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl]propanoic acid
English name
Levothyroxine EP Impurity B
Molecular formula
C15H11ClI3NO4
Molecular weight
685.42

Names & synonyms

Levothyroxine EP Impurity B1628720-66-03-Chloro Thyroxine(2S)-2-amino-3-(4-(3-chloro-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl)propanoic acid(2S)-2-Amino-3-[4-(3-chloro-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl] propanoic acid(S)-2-Amino-3-(4-(3-chloro-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl)propanoic acid3-ChloroThyroxineSY87G5ZM3ESCHEMBL25910263'-MONOCHLOROTRIIODOTHYRONINIL183329LEVOTHYROXINE SODIUM IMPURITY B [EP IMPURITY]
Show more names
Levothyroxine Impurity BLevothyroxine Impurity-B (Crude)Levothyroxine imp B (Mono chloro)Monochlorotriiodothyronine (Impurity-B)Levothyroxine EP Impurity-B (Mono chloro)Levothyroxine?EP?Impurity?B (3-Chloro Thyroxine)(S)-2-amino-3-(4-(3-chloro-4-hydroxy-5-iodophenoxy)L-Tyrosine, O-(3-chloro-4-hydroxy-5-iodophenyl)-3,5-diiodo-(S)-2-Amino-3-(4-(3-chloro-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl)propanoic acid (Levothyroxine Impurity)
Q272894632-AMINO-3-(4-(3-CHLORO-4-HYDROXY-5-IODOPHENOXY)-3,5-DIIODOPHENYL)PROPANOIC ACID, (2S)-L-Tyrosine, O-(3-chloro-4-hydroxy-5-iodophenyl)-3,5-diiodo-; (2S)-2-Amino-3-[4-(3-chloro-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl]propanoic Acid; Levothyroxine Impurity B

Database identifiers

CAS
1628720-66-0
UNII
SY87G5ZM3E

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
92.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
24

Physicochemical properties

Boiling point
567.9 · 567.9±50.0 °C(Predicted)
Density
2.408 · 2.408±0.06 g/cm3(Predicted)
pka
2.12 · 2.12±0.30(Predicted)

Chemistry & industry

Applications

Uses3-Chloro Thyroxine is an impurity of Thyroxine (T425600(P)), which is one of the thyroid hormones involved in the maintenance of metabolic homeostasis.

Suppliers38 total

上海策嵘生物科技有限公司[email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…