基本情報
- CAS
82691-33-6- 標準SMILES
CC(C)NC(C)Cc1ccc(I)cc1- InChIKey
ISEHJSHTIVKELA-UHFFFAOYSA-N- 分子式
- C12H18IN
- 平均分子量
- 303.18 g/mol
- 単同位体質量
- 303.0484
概要
An amphetamine analog that is rapidly taken up by the lungs and from there redistributed primarily to the brain and liver. It is used in brain radionuclide scanning with I-123.
名称と識別子
- 優先名称
- 4-Iodo-alpha-methyl-N-(1-methylethyl)benzeneethanamine
- IUPAC
- 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
名称と別名
iofetamine82691-33-6N-Isopropyl-p-iodoamphetamineC2A5X0804295896-48-3DTXSID3048443Benzeneethanamine, 4-iodo-alpha-methyl-N-(1-methylethyl)-Hydrochloride, I-123 IofetamineI-123, IofetamineIodine 123 IMPRefChem:389076N Isopropyl p iodoamphetamine
名称をさらに表示
DTXCID9028417I-123 Iofetamine HydrochlorideIofetamine Hydrochloride, I 123N-Isopropyl-p-(Iodine-123)-IodoamphetamineN-Isopropyl-p-iodoamphetamine (I123) Hydrochloride4-Iodo-alpha-methyl-N-(1-methylethyl)benzeneethanamineIodine-123-IMP(+/-)-N-Isopropyl-4-iodoamphetamine
データベース識別子
- CAS
82691-33-6- PubChem CID
- 3729
- DTXSID
DTXSID3048443- ChEMBL
CHEMBL1201308- UNII
- C2A5X08042
- Nikkaji
- J362.450A
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 12 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 4
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 150
実験および物理化学的性質
LogP1.6
化学と産業
薬理情報
MeSH Pharmacological ClassificationCompounds 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)
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化合物ノート
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