CAS 1173020-43-3 N-Methyl-3-(~2~H_5_)phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine--hydrogen chloride (1/1) (HCID 45039288)

基本情報

CAS: 1173020-43-3
標準SMILES: Cl.[2H]c1c([2H])c([2H])c(C(CCNC)Oc2ccc(C(F)(F)F)cc2)c([2H])c1[2H]
InChIKey: GIYXAJPCNFJEHY-CERKJNTMSA-N
分子式: C17H19ClF3NO
平均分子量: 350.8 g/mol
単同位体質量: 350.1421101

名称と識別子

優先名称: N-Methyl-3-(~2~H_5_)phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine--hydrogen chloride (1/1)
IUPAC: N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
現地名: フルオキセチン‐D5塩酸塩(フェニル‐D5)
英語名: Fluoxetine-D5 hydrochloride
分子式: C17H19ClF3NO
分子量: 345.79

名称と別名

1173020-43-3DTXSID90661982N-Methyl-3-(~2~H_5_)phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine--hydrogen chloride (1/1)N-Methyl-3-(~2~H_5_)phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine--hydrogen chloride (1/1)RefChem:1091888DTXCID30612731Fluoxetine-d5 hydrochlorideFluoxetine-d5 (hydrochloride)N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochlorideFluoxetine-d5 HCl(+/-)-Fluoxetine-d5 HCl (phenyl-d5)C17H19ClF3NO

名称をさらに表示

フルオキセチン‐D5塩酸塩(フェニル‐D5)フルオキセチン-D5塩酸塩フルオキセチン-d５塩酸塩(フェニル-d５)Nicarbazin Impurity 5Fluoxetine hydrochloride saltD5- (±)-Fluoxetine hydrochloride(±)-Fluoxetine-d5 HCl (phenyl-d5)2H5]- (±)-Fluoxetine hydrochloride13C6]-Fluoxetine hydrochloride saltFluoxetine-d5 hydrochloride (phenyl-d5)Fluoxetine-d5 hydrochloride (phenyl-d5) in methanol

物性

構造計算による物性

極性表面積: 21.3 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 23
形式電荷: 0
複雑度: 308

物理化学的性質

貯蔵温度: -20 °C · Store at -20°C
溶解性: 16 mg/ml,DMSO: · DMF: 16 mg/ml,DMSO: 12.5 mg/ml,Ethanol: 12.5 mg/ml,PBS (pH 7.2): 0.2 mg/ml
外見: A crystalline solid
色: White to off-white
InChI: 1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/i2D,3D,4D,5D,6D;
InChIKey: GIYXAJPCNFJEHY-CERKJNTMSA-N
SMILES: Cl.[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(CCNC)Oc2ccc(cc2)C(F)(F)F

化学的性質

化学的特性White to Off-White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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: WGK 3
risk_code: 22-38-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Fluoxetine-D5 hydrochloride is a labelled selective serotonin reuptake inhibitor (SSRI),it is used as an antidepressant.

サプライヤー35 社

天津始加生物医药科技有限公司15022261580 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

盐城通铭生物科技有限公司15195160625 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

化合物ノート

読み込み中…

フルオキセチン‐D5塩酸塩(フェニル‐D5)