4-(Aminomethyl)-5-(hydroxymethyl)-2-(~2~H_3_)methylpyridin-3-ol--hydrogen chloride (1/2)
基本情報
- CAS
1173023-45-4- 標準SMILES
Cl.Cl.[2H]C([2H])([2H])c1ncc(CO)c(CN)c1O- InChIKey
HNWCOANXZNKMLR-GXXYEPOPSA-N- 分子式
- C8H14Cl2N2O2
- 平均分子量
- 244.13 g/mol
- 単同位体質量
- 243.0620633
名称と識別子
- 優先名称
- 4-(Aminomethyl)-5-(hydroxymethyl)-2-(~2~H_3_)methylpyridin-3-ol--hydrogen chloride (1/2)
- IUPAC
- 4-(aminomethyl)-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol;dihydrochloride
- 英語名
- Pyridoxamine-[D3] dihydrochloride (Vitamin B6-[D3])
- 分子式
- C8H13ClN2O2
- 分子量
- 204.65
名称と別名
1173023-45-4DTXSID107030304-(Aminomethyl)-5-(hydroxymethyl)-2-(~2~H_3_)methylpyridin-3-ol--hydrogen chloride (1/2)RefChem:288457DTXCID60653778Pyridoxamine-methyl-d3 dihydrochloridePyridoxamine-d3 DihydrochloridePyridoxamine dihydrochloride-d34-(aminomethyl)-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol;dihydrochloride1173148-03-2Pyridoxamine-d3DihydrochlorideC8H11Cl2D3N2O2
名称をさらに表示
Pyridoxamine dihydrochloride-[D3Pyridoxamine-D3 Dihydrochloride (Standard)Pyridoxamine-(methyl-d3) dihydrochlorideVitamin B? (pyridoxamine·2HCl) (methyl-D?, 98%)D3-Pyridoxamine dihydrochloride (D3-Vitamin B6)VITAMIN B6 (PYRIDOXAMINE:2HCL) (METHYL-D3, 98%)Pyridoxamine-[D3] dihydrochloride (Vitamin B6-[D3])2H3]-Pyridoxamine dihydrochloride ([2H3]-Vitamin B6)Pyridoxamine-(methyl-d3) dihydrochloridePyridoxamine-d3 Dihydrochloride in 0.1mol/LHCl (as free base)
orb2280790MSK1592D3TMIH-0465MFCD11656105HY-141923SCS-0312504Pyridoxamine-(methyl-d3) dihydrochloride, 98 atom % D, 98% (CP)4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol-d3 Dihydrochloride; 2-Methyl-3-hydroxy-4-aminomethyl-5-hydroxmethylpyridine-d3 Dihydrochloride; Pyridorin-d3 Dihydrochloride; Pyridoxylamine-d3 Dihydrochloride
データベース識別子
- CAS
1173023-45-4- PubChem CID
- 53442252
- DTXSID
DTXSID10703030- EC Number
- 694-249-8
物性
構造計算による物性
- 極性表面積
- 79.4 Ų
- 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
物理化学的性質
- 融点
- 224 · 224-226°C
- 貯蔵温度
- -20 °C · -20°C
- 外見
- powder
- 色
- white to off-white
- InChI
- InChI=1S/C8H12N2O2.ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;/h3,11-12H,2,4,9H2,1H3;1H
- InChIKey
- PFIPZKASKUWLHH-UHFFFAOYSA-N
- SMILES
- C(C1=C(C(C([H])([H])[H])=NC=C1CO)O)N.Cl
- CAS Number Unlabeled
- 524 · 524-36-7
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- wgk
- 2
- hs_code
- 2845901000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用Pyridoxamine-(methyl-d3) dihydrochloride or vitamin B6-(methyl-d3) is used as an internal analytical standard for the quantitation of pyridoxamine concentration in dietary supplements, fortified foods or within a complex biological matrix.
一般的な説明Pyridoxamine-(methyl-d3) dihydrochloride, an isotope-labeled analog of pyridoxamine, is a form of vitamin B6. Natural source of pyridoxamine is animal foods, and its deficiency in humans potentially causes sideroblastic anemia, weakness, insomnia, and neurological disorders.
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