Levothyroxine sodium monohydrate

HCID 23667619CAS 25416-65-3

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Basic information

Standard SMILES: N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+]
InChIKey: ANMYAHDLKVNJJO-LTCKWSDVSA-M
Molecular formula: C15H12I4NNaO5
Average molar mass: 816.87 g/mol

Overview

Levothyroxine sodium hydrate is an organic molecular entity.

Names & identifiers

Preferred name: Levothyroxine sodium monohydrate
IUPAC: sodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;hydrate

Names & synonyms

Levothyroxine sodium monohydrate31178-59-3B82379R9W0L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, monosodium salt, monohydrateRefChem:108844525416-65-3Levothyroxine sodium hydrateL-Thyroxine sodium xhydrateL-Thyroxine sodium hydrateSodium (S)-2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoate xhydratesodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;hydrateMFCD06408007

Show more names

L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, monosodium salt, hydrateLatequatroLetequatroLevoroxinLevotironTiroxinaTivoralO-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine Sodium Salt Hydrate

Database identifiers

CAS: 25416-65-3、31178-59-3
PubChem CID: 23667619
ChEBI: CHEBI:6447
UNII: B82379R9W0
EC Number: 685-634-1

Properties

Computed structural properties

Topological polar surface area: 96.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 426

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H361 (25%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P264, P270, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.