基本情報
- CAS
111686-79-4- 標準SMILES
CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.Cl- InChIKey
HYQMIUSWZXGTCC-UHFFFAOYSA-N- 分子式
- C17H21ClN2O
- 平均分子量
- 304.8 g/mol
- 単同位体質量
- 304.134241
概要
See also: Remacemide (has active moiety).
名称と識別子
- 優先名称
- Remacemide Hydrochloride
- IUPAC
- 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;hydrochloride
- 現地名
- 塩酸レマセミド
- 英語名
- 2-Amino-N-(1-methyl-1,2-diphenylethyl)acetamide hydrochloride
- 分子式
- C17H21ClN2O
- 分子量
- 304.82
名称と別名
REMACEMIDE HYDROCHLORIDE111686-79-4FPL 12924AAPR 934-423ADTXSID9045683FPL-12924AAI1ST2B6HIMPR-934-423ADTXCID7025683RefChem:178820Remacemide HClRemacemide (hydrochloride)
名称をさらに表示
塩酸レマセミドrac-(1R*)-N-グリシル-1-メチル-1,2-ジフェニルエタンアミン・塩酸塩レマセミド・塩酸塩レマセミド塩酸塩pr934-423afpl12924aaRemacemideHCl2-diphenylethyl)acetamidemonohydrochloride(+-)-2-amino-n-(1-methyl-2-amino-n-(1-methyl-1,2-diphenylethyl)-,monohydrochloride,(+-)-acetamid
Remacemide hydrochloride [USAN]2-AMINO-N-(1-METHYL-1,2-DIPHENYLETHYL)ACETAMIDE HYDROCHLORIDE2-amino-N-(1,2-diphenylpropan-2-yl)acetamide hydrochloride2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;hydrochlorideAcetamide, 2-amino-N-(1-methyl-1,2-diphenylethyl)-, (+/-)- [CAS]FPL 12924AA; PR 934-423ARemacemide hydrochloride (USAN)SMR000466281
データベース識別子
- CAS
111686-79-4- PubChem CID
- 60510
- DTXSID
DTXSID9045683
物性
構造計算による物性
- 極性表面積
- 55.1 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 2
- 回転可能結合数
- 5
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 306
物理化学的性質
- 融点
- 253 · 253-254°
- 貯蔵温度
- room temp
- 溶解性
- 2 O: · H2O: >10mg/mL
- 外見
- 粉
- 色
- 白からベージュ
- 水溶解度
- 100 mM · Soluble to 100 mM in water
- InChI
- 1S/C17H20N2O.ClH/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2-11H,12-13,18H2,1H3,(H,19,20);1H
- InChIKey
- HYQMIUSWZXGTCC-UHFFFAOYSA-N
- SMILES
- Cl.CC(Cc1ccccc1)(NC(=O)CN)c2ccccc2
安全と法規制
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 3
- rtecs
- AB4349500
- ridadr
- UN 3077 9 / PGIII
- 毒性
- LD50 (calculated as base) in rats (mg/kg): ~50 i.v., ~900 orally (Muir, Palmer)
- risk_code
- 22-41-50/53
- hazard_code
- Xn,N
- safety_code
- 26-39-45-60-61
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs used to prevent SEIZURES or reduce their severity.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
応用分野
使用Anticonvulsant (neuroprotective).
サプライヤー16 社
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
関連反応
4 件
化合物ノート
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