Pyridoxamine, dihydrochloride

HCID 10664CAS 524-36-7

基本情報

標準SMILES: Cc1ncc(CO)c(CN)c1O.Cl.Cl
InChIKey: HNWCOANXZNKMLR-UHFFFAOYSA-N
分子式: C8H14Cl2N2O2
平均分子量: 241.11 g/mol
単同位体質量: 240.04323305

概要

Pyridoxamine dihydrochloride is a hydrochloride obtained by combining pyridoxamine with two molar equivalents of hydrochloric acid. Used for treatment of diabetic nephropathy. It has a role as an iron chelator, a mouse metabolite, a Saccharomyces cerevisiae metabolite, a nephroprotective agent, a plant metabolite, an Escherichia coli metabolite and a human metabolite. It is a vitamin B6 and a hydrochloride. It contains a pyridoxamine(2+).

名称と識別子

優先名称: Pyridoxamine, dihydrochloride
IUPAC: 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

名称と別名

PYRIDOXAMINE DIHYDROCHLORIDE524-36-7Pyridoxylamine dihydrochloride4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochlorideYQ8NCR7V0ODTXSID60450882-Methyl-3-hydroxy-4-aminomethyl-5-hydroxymethylpyridene dihydrochlorideDTXCID4025088CHEBI:131532PYRIDOXAMINE, MONOHYDROCHLORIDENSC-21278Pyridoxamine, dihydrochloride

名称をさらに表示

RefChem:870905208-357-64-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloridePyridoxamine 2HClPyridorinPyridoxamine dichlorohydratePyridoxylamine (dihydrochloride)pyridoxaminedihydrochloride

データベース識別子

CAS: 524-36-7
PubChem CID: 10664
DTXSID: DTXSID6045088
ChEMBL: CHEMBL2361504
ChEBI: CHEBI:131532
UNII: YQ8NCR7V0O
EC Number: 208-357-6

物性

構造計算による物性

極性表面積: 79.4 Å²
水素結合供与体数: 5
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 143

実験および物理化学的性質

Chemical ClassesBiological Agents -> Vitamins and Derivatives

Vapor Pressure0.00000144 [mmHg]

Physical DescriptionSolid; [Merck Index] White to off-white solid; [Acros Organics MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryCauses convulsions in oral and subcutaneous lethal-dose studies of mice and rats; [RTECS] An irritant; [Acros Organics MSDS] See Pyridoxine hydrochloride.

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

化学と産業

用途と製造

UsesThe 4-aminomethyl form of VITAMIN B 6. During transamination of amino acids, PYRIDOXAL PHOSPHATE is transiently converted into pyridoxamine phosphate. [ChemIDplus]