基本情報
- CAS
80663-95-2- 標準SMILES
NC(N)=NCc1cccc(I)c1- InChIKey
PDWUPXJEEYOOTR-UHFFFAOYSA-N- 分子式
- C8H10IN3
- 平均分子量
- 275.09 g/mol
- 単同位体質量
- 274.99194
概要
2-[(3-iodophenyl)methyl]guanidine is an organoiodine compound.
名称と識別子
- 優先名称
- 3-Iodobenzylguanidine
- IUPAC
- 2-[(3-iodophenyl)methyl]guanidine
- 現地名
- M-ヨードベンジルグアニジンヘミ硫酸塩
- 英語名
- Caindexname:guanidine,[(3-iodophenyl)methyl]
- 分子式
- C8H10IN3
- 分子量
- 275.09
名称と別名
3-Iodobenzylguanidinem Iodobenzylguanidine3 Iodobenzylguanidinemeta IodobenzylguanidineRefChem:94458123I Labeled 3-Iodobenzylguanidine125I Labeled 3-Iodobenzylguanidine3 Iodobenzylguanidine, 123I Labeled3 Iodobenzylguanidine, 125I LabeledIobenguane80663-95-21-(3-Iodobenzyl)guanidine
名称をさらに表示
M-ヨードベンジルグアニジンヘミ硫酸塩Iobenguane sulfateM-iodobenzylguanidine hemisulfateIobenguane-d413C,15N2]-IobenguaneN-[(3-iodophenyl)methyl]GuanidineGuanidine, N-[(3-iodophenyl)methyl]-m-Iodobenzoylguanidine Hemisulfate SaltCaindexname:guanidine,[(3-iodophenyl)methyl]m-Iodobenzylguanidine hemisulphate salt, ≥98%
m-IodobenzylguanidineMetaiodobenzylguanidine2-[(3-iodophenyl)methyl]guanidineGuanidine,N-[(3-iodophenyl)methyl]-MIBGmeta-IodobenzylguanidineMFCD00133520Iobenguane (127-i)
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 64.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 166
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
SolubilitySoluble
Human DrugsBreast Feeding; Lactation; Milk, Human; Radiopharmaceuticals; Iodine Radioisotopes; Diagnostic Agents
Boiling Point100°C
Melting Point0°C
物理化学的性質
- 沸点
- 351.3 · 351.3±52.0 °C(Predicted)
- 比重(密度)
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 12.43 · 12.43±0.70(Predicted)
- CAS データベース
- 80663 · 80663-95-2
化学的性質
化学的特性Colourless to off-white solid
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 ClassificationNot Classified
危険有害性情報
Hazard Classes and CategoriesNot Classified
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- 3
- hs_code
- 29252900
化学と産業
薬理情報
Pharmacodynamics
AdreView is a diagnostic radiopharmaceutical which contains a small quantity of iobenguane that is not expected to produce a pharmacodynamic effect. Patients with renal insufficiency may experience increased radiation exposure and impaired imaging results.
Mechanism of Action
Structure of iobenguane is similar to noradrenaline so it can be taken up by adrenergic tissue in the adrenal medulla, liver, heart, and spleen. Once taken up by noradrenaline transporters in the adrenergic nerve terminals, it is stored in the presynaptic storage vesicles. The radioactive iodine component is responsible for its imaging properties.
Biological Half-LifePhysical half life = 13.2 hours
Metabolism/MetabolitesLess than 10% of the dose is metabolized into m-iodohippuric acid (MIHA). However the mechanism in which this metabolite is produced is unknown.
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Compounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161)
Absorption, Distribution and Excretion
Iobenguane rapidly clears from the blood and is highly retained in adrenergic tissues.
Renally excreted unchanged (70%-90%) via glomerular filtration; Fecal (<1%)
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