基本情報
- CAS
64584-34-5- 標準SMILES
COc1cc(CC(C)N)c(OC)cc1I- InChIKey
BGMZUEKZENQUJY-UHFFFAOYSA-N- 分子式
- C11H16INO2
- 平均分子量
- 321.15 g/mol
- 単同位体質量
- 321.02258
概要
2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine is an organoiodine compound that is amphetamine bearing two methoxy substituents at positions 2 and 5 as well as an iodo substituent at position 4. It is a member of amphetamines, an organoiodine compound and a dimethoxybenzene. It is functionally related to an amphetamine.
名称と識別子
- 優先名称
- 2,5-Dimethoxy-4-iodoamphetamine
- IUPAC
- 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
- 英語名
- 1-(4-IODO-2,5-DIMETHOXYPHENYL)PROPAN-2-AMINE
- 分子式
- C11H16INO2
- 分子量
- 321.16
名称と別名
64584-34-54-DOI4-Iodo-2,5-dimethoxyphenylisopropylamine2,5-Dimethoxy-4-iodoamphetamineDOI-P1-(2,5-Dimethoxy-4-iodophenyl)-2-aminopropane2,5-Dimethoxy-4-iodophenylisopropylamine1-(4-Iodo-2,5-dimethoxyphenyl)-2-aminopropaneOOM10GW9UEDTXSID70405204-Iodo-2,5-dimethoxy-alpha-methylbenzeneethanamineDOI cpd
名称をさらに表示
AURORA KA-76724-Iodo-2,5-dieMthoxyaMphetaMine2,5-DiMethoxy-4-iodoMethaMphetaMine1-(4-IODO-2,5-DIMETHOXYPHENYL)PROPAN-2-AMINE4-Iodo-2,5-diMethoxy-α-MethylbenzeneethanaMine4-iodo-3-methoxy-N-(1-methoxypropan-2-yl)anilineBenzeneethanamine, 4-iodo-2,5-dimethoxy-α-methyl-4-Iodo-2,5-dimethoxyphenylisopropylamine hydrochloride, (R)-isomer
RefChem:908825DTXCID5020520DOI4-Iodo-2,5-dimethoxyamphetamine2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine(+/-)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropaneCHEMBL6616UNII-OOM10GW9UE
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 44.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 191
実験および物理化学的性質
Drugs
DEA NFLIS-Drug Category -> Phenethylamines (D Series) (H)
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
物理化学的性質
- 沸点
- 361.5 · 361.5±42.0 °C(Predicted)
- 比重(密度)
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 9.46 · 9.46±0.10(Predicted)
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。
安全データ
- 注意喚起語
- 危険
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H301
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations, and other alterations of mood and thinking. Despite the name, the feature that distinguishes these agents from other classes of drugs is their capacity to induce states of altered perception, thought, and feeling that are not experienced otherwise.
Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.
応用分野
使用2,5-Dimethoxy-4-iodoamphetamine (DOI) is a psychedelic drug and a substituted amphetamine of the phenethylamine family. It is also a powerful anti-inflammatory that is effective at doses on the order of 100 micrograms in humans, far below its effective dose as a psychedelic. Despite being a substituted amphetamine, it is not a stimulant. DOI has a stereocenter and R-(-)-DOI is the more active stereoisomer. DOI is a 5-HT2A, 5-HT2B, and 5-HT2C receptor partial agonist. Its psychedelic effects are mediated by its agonistic properties at the 5-HT2A receptor. This is a controlled substance.
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