36236-67-6 ((1-[(4-chlorophenyl)benzyl]-4-[(m-tolyl)methyl]piperazine hydrochloride)

CAS号:
36236-67-6
英文名称:
1-[(4-chlorophenyl)benzyl]-4-[(m-tolyl)methyl]piperazine hydrochloride
分子式:
C25H28Cl2N2
分子量:
427.409224510193

1-[(4-chlorophenyl)benzyl]-4-[(m-tolyl)methyl]piperazine hydrochloride(36236-67-6)名称与标识符

名称

英文别名:
1-[(4-chlorophenyl)benzyl]-4-[(m-tolyl)methyl]piperazine hydrochloride;1-((4-Chlorophenyl)benzyl)-4-((m-tolyl)methyl)piperazine hydrochloride;1-(p-Chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)piperazine hydrochloride;Antivert;Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)-, hydrochloride;Meclozine monohydrochloride;NCGC00180908-02;Meclizine monohydrochloride anhydrous;MLS002222222;meclizine diHCl;36236-67-6;SMR000058736;410538-37-3;1-p-Chlorbenzhydryl-(m-methylbenzyl)piperazine dihydrochloride;1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;hydrochloride;EINECS 252-932-4;008PUV3986;Meclizine hydrochloride;Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)-, hydrochloride (1:1);NSC-28728;ANHYDROUS MECLOZINE HYDROCHLORIDE;MLS000028709;SCHEMBL41366;Q27231341;Parachloramine, dihydrochloride;GJNMJOHYRWHJQB-UHFFFAOYSA-N;AKOS024374956;NSC757094;Taizer;Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)-, monohydrochloride;Pharmakon1600-01500376;UNII-008PUV3986;CHEMBL1085765;1-[(4-Chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine--hydrogen chloride (1/1);Postafene dihydrochloride;VU0239821-5;WLN: T6N DNTJ AYR&R DG& D1R C1 &GH 2;Vertizine;Meclozine dihydrochloride, European Pharmacopoeia (EP) Reference Standard;Meclozine hydrochloride;NSC28728;Duremesin;NC00640;CPD000058736;DTXSID80957624;V-Cline;Opera_ID_1833;Meclizine Monohydrochloride;NCGC00180908-01;

标识符

InChIKey:
GJNMJOHYRWHJQB-UHFFFAOYSA-N
Inchi:
1S/C25H27ClN2.ClH/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;/h2-13,18,25H,14-17,19H2,1H3;1H
SMILES:
ClC1C=CC(=CC=1)C(C1C=CC=CC=1)N1CCN(CC2C=CC=C(C)C=2)CC1.Cl

1-[(4-chlorophenyl)benzyl]-4-[(m-tolyl)methyl]piperazine hydrochloride(36236-67-6)物化性质

实验特性

  • PSA : 6.48
  • 折射率 : 1.6300 (estimate)
  • 沸点 : 577.93°C (rough estimate)
  • 密度 : 1.0753 (rough estimate)

计算特性

  • 精确分子量 : 426.16324
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 5
  • 同位素质量 : 426.1629543g/mol
  • 重原子数量 : 29
  • 复杂度 : 448
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 6.5Ų

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