Levothyroxine sodium monohydrate

HCID 23667619CAS 25416-65-3

部分構造検索類似構造を探す

基本情報

標準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
分子式: C15H12I4NNaO5
平均分子量: 816.87 g/mol

概要

Levothyroxine sodium hydrate is an organic molecular entity.

名称と識別子

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

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 96.6 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 26
形式電荷: 0
複雑度: 426

安全と法規制

GHS分類

GHS Classification · 4 件

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.