Naphyrone hydrochloride
基本情報
- CAS
850352-11-3- 標準SMILES
CCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1.Cl- InChIKey
SIOVYKZRZLWQSY-UHFFFAOYSA-N- 分子式
- C19H24ClNO
- 平均分子量
- 317.9 g/mol
- 単同位体質量
- 317.1546421
名称と識別子
- 優先名称
- Naphyrone hydrochloride
- IUPAC
- 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
- 英語名
- 1-(Naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one hydrochloride
- 分子式
- C19H24ClNO
- 分子量
- 317.85296
名称と別名
Naphyrone Hydrochloride850352-11-3Naphyrone HCl4EMP7E490RUNII-4EMP7E490R1-(NAPHTHALEN-2-YL)-2-(PYRROLIDIN-1-YL)PENTAN-1-ONE HYDROCHLORIDE1-Pentanone, 1-(2-naphthalenyl)-2-(1-pyrrolidinyl)-, hydrochloride1-PENTANONE, 1-(2-NAPHTHALENYL)-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)RefChem:202252Naphyrone.HCl2-Naphthyl Pyrovalerone Hydrochloride2-Naphthyl Pyrovalerone Hydrochloride (1.0 mg/mL in Methanol)
名称をさらに表示
Energy-1b-Naphyrone HydrochlorideNaphyrone hydrochloride solutionO-2482 Naphthylpyrovalerone or Naphyrone1-(2-naphthyl)-2-(1-pyrrolidinyl)-1-pentanoneNaphyrone (hydrochloride) (exempt preparation)
2-Naphthyl Pyrovalerone Hydrochloride (1mg/ml in Acetonitrile)Naphyrone Hydrochloride; 1-Naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one Hydrochloride; 1-Pentanone, 1-(2-naphthalenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1); 1-Pentanone, 1-(2-naphthalenyl)-2-(1-pyrrolidinyl)-, hydrochloride (9CI); ss-Naphyrone hydrochloride; Naphthylpyrovalerone hydrochlorideNaphyrone (hydrochloride)SCHEMBL15162034DTXSID701355924GLXC-04506AKOS015951315Naphyrone.HCl, 1mg/ml in Methanol (as free base)
データベース識別子
- CAS
850352-11-3- PubChem CID
- 53326964
- DTXSID
DTXSID701355924- UNII
- 4EMP7E490R
- EC Number
- 687-992-4
物性
構造計算による物性
- 極性表面積
- 20.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 5
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 347
物理化学的性質
- 融点
- 189 °C · >189°C (dec.)
- 闪点
- 9 ℃ · 9℃
- 貯蔵温度
- Refrigerator
- 溶解性
- Methanol (Slightly)
- 外見
- Solid
- 色
- Pale Yellow to Pale Beige
- 主な用途
- 法医学と毒物学
- InChI
- 1S/C19H23NO.ClH/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17;/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3;1H
- InChIKey
- SIOVYKZRZLWQSY-UHFFFAOYSA-N
- SMILES
- CCCC(N1CCCC1)C(C2=CC(C=CC=C3)=C3C=C2)=O.[H]Cl
化学的性質
化学的特性Pale Yellow 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 Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
安全データ
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- ストレージクラス
- 3 - Flammable liquids
- DEA Controlled Substances
- CSCN: 1258CSA SCH: Schedule INARC: No
化学と産業
応用分野
説明Pyrovalerone is a psychoactive compound with stimulatory effects. It is a controlled drug that has been found as a contaminant in products sold as bath salts. Naphyrone (hydrochloride) is an analog of pyrovalerone that is characterized by the substitution of the methylphenyl group of pyrovalerone with a naphthyl group. Naphyrone potently inhibits dopamine, serotonin, and norepinephrine transporters (IC50 = 20, 33, and 136 nM, respectively). Naphyrone, like pyrovalerone, has been detected in bath salt-type products. This compound is intended for forensic and research purposes.
使用A Pyrovalerone (P997750) analog as selective dopamine transporter inhibitors.
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