2-Hydrazinoadenosine

HCID 10357262

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基本情報

CAS: 15763-11-8
標準SMILES: NNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey: BAYFDGKAUSOEIS-UUOKFMHZSA-N
分子式: C10H15N7O4
平均分子量: 297.27 g/mol
単同位体質量: 297.11855196

名称と識別子

優先名称: 2-Hydrazinoadenosine
IUPAC: (2R,3R,4S,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
英語名: 2-Hydrazinoadenosine
分子式: C10H15N7O4
分子量: 297.27

名称と別名

2-hydrazinoadenosineRefChem:472933806-476-315763-11-82-Hydrazino Adenosine2-Hydrazino-adenosineAdenosine, 2-hydrazinyl-(2R,3R,4S,5R)-2-(6-Amino-2-hydrazinyl-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol2-HydrazinyladenosineMFCD01320407(2R,3R,4S,5R)-2-(6-AMINO-2-HYDRAZINYLPURIN-9-YL)-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL2-Hydrazinyl-adenosine

名称をさらに表示

BINO-006Regadenoson Impurity 19Regadenoson Impurity 22Hydrazinoadenosine impurity 2（Regardsone impurity 22）(3R, 4S, 5R)-2-(6-amino-2-hydrazinyl-9H-purin-9-yl)-5-(hydroxymethyl) tetrahydrofuran-3,4-diol(2R,3R,4S,5R)-2-((Z)-6-amino-2-hydrazono-2H-purin-9(3H)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

(2R,3R,4S,5R)-2-(6-amino-2-hydrazineyl-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolC10H15N7O4Adenosine, 2-hydrazinyl-; Adenosine, 2-hydrazino- (6CI,8CI,9CI); 2-Hydrazinyladenosine(2R,3R,4S,5R)-2-(6-amino-2-hydrazinyl-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol2-Hydrazino-D-adenosineAdenosine, 2-hydrazino-NU7J2K7WZVSCHEMBL489378

データベース識別子

CAS: 15763-11-8
PubChem CID: 10357262
DTXSID: DTXSID00438687
UNII: NU7J2K7WZV
EC Number: 806-476-3
Nikkaji: J522.400D

物性

構造計算による物性

XLogP: -1.5
極性表面積: 178 Å²
水素結合供与体数: 6
水素結合受容体数: 10
回転可能結合数: 3
重原子数: 21
形式電荷: 0
複雑度: 377

物理化学的性質

融点: 208 · 208-210°C
沸点: 583.1 · 583.1±60.0 °C(Predicted)
比重(密度): 2.29 · 2.29±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: DMSO (Slightly, Heated), Methanol (Sparingly), Water (Sparingly, Heated, Sonicated)
外見: Solid
酸解離定数(Pka): 12.76 · 12.76±0.70(Predicted)
色: Off-White to Brown
安定性: 湿気に敏感
CAS データベース: 15763 · 15763-11-8

化学的性質

化学的特性Colourless Powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.