1,4-ビス[(4-クロロフェニル)フェニルメチル]ピペラジン DIHCL

1,4-Bis[(4-chlorophenyl)phenylmethyl]piperazine

HCID 413327

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 346451-15-8
標準SMILES: Clc1ccc(C(c2ccccc2)N2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1
InChIKey: DLEQNCKNBPYHEY-UHFFFAOYSA-N
分子式: C30H28Cl2N2
平均分子量: 487.5 g/mol
単同位体質量: 486.1629543

名称と識別子

優先名称: 1,4-Bis[(4-chlorophenyl)phenylmethyl]piperazine
IUPAC: 1,4-bis[(4-chlorophenyl)-phenylmethyl]piperazine
現地名: 1,4-ビス[(4-クロロフェニル)フェニルメチル]ピペラジン DIHCL
英語名: 1,4-BIS[(4-CHLOROPHENYL)PHENYLMETHYL]PIPERAZINE DIHYDROCHLORIDE
分子式: C30H28Cl2N2
分子量: 487.46

名称と別名

1,4-bis[(4-chlorophenyl)phenylmethyl]piperazine1,4-Bis((4-chlorophenyl)phenylmethyl)piperazine5K68SCT4TX1,4-bis((4-chlorophenyl)(phenyl)methyl)piperazine1,4-bis[(4-chlorophenyl)(phenyl)methyl]piperazineCETIRIZINE DIHYDROCHLORIDE IMPURITY D [EP IMPURITY]MECLOZINE DIHYDROCHLORIDE IMPURITY F [EP IMPURITY]CETIRIZINE DIHYDROCHLORIDE IMPURITY D (EP IMPURITY)MECLOZINE DIHYDROCHLORIDE IMPURITY F (EP IMPURITY)CETIRIZINE HYDROCHLORIDE IMPURITY, CETIRIZINE DIMER-(USP IMPURITY)CETIRIZINE HYDROCHLORIDE IMPURITY, CETIRIZINE DIMER-[USP IMPURITY]RefChem:416385

名称をさらに表示

1,4-ビス[(4-クロロフェニル)フェニルメチル]ピペラジン DIHCLCetirizine -EP-Imp-DUSP Cetirizine DimerCetirizine Impurity97Cetirizine Impurity 12Meclozine EP Impurity FBuclizine EP Impurity A HClCetirizine Impurity 12 MonomerBuclizine HCl IMpurity-A(BP/EP)1,4-Bis[(4-chlorophenyl)phenylmethy

642-012-4852-368-4856841-95-7Cetirizine impurity D346451-15-8Cetirizine dimerUNII-5K68SCT4TXPiperazine, 1,4-bis((4-chlorophenyl)phenylmethyl)-

データベース識別子

CAS: 346451-15-8、856841-95-7
PubChem CID: 413327
UNII: 5K68SCT4TX
EC Number: 642-012-4、852-368-4

物性

構造計算による物性

XLogP: 7.7
極性表面積: 6.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 6
重原子数: 34
形式電荷: 0
複雑度: 527

物理化学的性質

融点: 180 °C · >180°C (dec.)
沸点: 270 · 270-275 °C(Press: 1 Torr)
比重(密度): 1.228 · 1.228±0.06 g/cm3(Predicted)
貯蔵温度: Hygroscopic, Refrigerator, Under inert atmosphere
溶解性: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Heated), Methanol (Slightly)
酸解離定数(Pka): 5.85 · 5.85±0.10(Predicted)
外見: 個体
色: 白い
安定性: 吸湿性
主な用途: 医薬品医薬品低分子化合物
InChI: 1S/C30H28Cl2N2.2ClH/c31-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23)33-19-21-34(22-20-33)30(24-9-5-2-6-10-24)26-13-17-28(32)18-14-26;;/h1-18,29-30H,19-22H2;2*1H
InChIKey: DLEQNCKNBPYHEY-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)C(N3CCN(CC3)C(c5ccc(cc5)Cl)c4ccccc4)c2ccccc2.Cl.Cl

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

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

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

危険有害性情報

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

安全データ

wgk: WGK 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用1,4-Bis[(4-chlorophenyl)phenylmethyl]piperazine is an impurity of Buclizine (B689450), an antiemetic agent.

サプライヤー79 社

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

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

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

怀化元研达生物技术有限责任公司18711085600 · [email protected]

化合物ノート

読み込み中…