3810-80-8 (盐酸地芬诺酯,DIPHENOXYLATE HYDRDCHCORIDE)

CAS号:
3810-80-8
中文名称:
盐酸地芬诺酯
英文名称:
DIPHENOXYLATE HYDRDCHCORIDE
分子式:
C30H33ClN2O2
分子量:
489.048227071762

盐酸地芬诺酯(3810-80-8)名称与标识符

名称

中文别名:
盐酸地芬诺酯;地芬诺酯;地芬诺酯盐酸盐;地芬诺酯盐酸盐标准品;盐酸地芬诺酯标准品;μL in Acetonitrile 标准品;盐酸地芬诺酯(苯乙哌啶粉);
英文别名:
DIPHENOXYLATE HYDRDCHCORIDE;1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecoticacidethylesterhydrochl;ethyl1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotatemonohydrochloride;isonipecoticacid,1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-,ethylester,hydro;r1132;DIPHENOXYLATE HCL;DIPHENOXYLATE HYDROCHLORIDE;Diphenoxylate HCL (Subj To Narcotic Permit);DIPHENOXYLATE HYDROCHLORIDE METHANOL SOL UTION;DIPHENOXYLATE HYDROCHLORIDE ANTIPERISTAL TIC, ANTI;4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride;Diphenoxylate HCl 10 ng;1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester hydrochloride;Diphenoxylate Hydrochloride (1.0mg/ml in Acetonitrile);DIPHENOXYLATE HYDROCHLORIDE [USP MONOGRAPH];DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF LOW-QUEL;Q-201004;DTXCID3027821;DIPHENOXYLATE HYDROCHLORIDE [VANDF];Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride;Diphenoxylate hydrochloride cii;CAS-3810-80-8;DIPHENOXYLATE HYDROCHLORIDE [USP-RS];DIPHENOXYLATI HYDROCHLORIDUM [WHO-IP LATIN];LOMANATE COMPONENT DIPHENOXYLATE HYDROCHLORIDE;DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF COLONAID;Diphenoxylate hydrochloride [USP];EINECS 223-287-6;R-1132 (ANTIPERISTALTIC);NC00252;DIPHENOXYLATE HYDROCHLORIDE [WHO-DD];DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF DI-ATRO;MLS001401383;CHEMBL1200665;LO-TROL COMPONENT DIPHENOXYLATE HYDROCHLORIDE;DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF LOMOTIL;LOGEN COMPONENT DIPHENOXYLATE HYDROCHLORIDE;R 1132 (antiperistaltic);1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride;Tox21_112825;DIPHENOXYLATE HYDROCHLORIDE [ORANGE BOOK];CCG-101002;ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride;SMR000469140;AKOS027382491;Tox21_112593;NCGC00167963-03;LONOX COMPONENT DIPHENOXYLATE HYDROCHLORIDE;NCGC00167963-02;SCHEMBL42124;DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF LOMANATE;DI-ATRO COMPONENT DIPHENOXYLATE HYDROCHLORIDE;Diphenoxylati hydrochloridum;DIPHENOXYLATE HYDROCHLORIDE [WHO-IP];COLONAID COMPONENT DIPHENOXYLATE HYDROCHLORIDE;DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF LONOX;DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF LO-TROL;Diphenoxylate Hydrochloride (1.0 mg/ml in Methanol);W24OD7YW48;R 1132;Tox21_112593_1;Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride;DIPHENOXYLATE HYDROCHLORIDE [MART.];DIPHENOXYLATE HYDROCHLORIDE [EP MONOGRAPH];3810-80-8;Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride;LOMOTIL COMPONENT DIPHENOXYLATE HYDROCHLORIDE;Q27126896;Diphenoxylate hydrochloride (USP);ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride;NCGC00167963-01;LOW-QUEL COMPONENT DIPHENOXYLATE HYDROCHLORIDE;CHEBI:59784;D03860;Diphenoxylate for system suitability;NS00082075;4-Ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile, hydrochloride;DIPHENOXYLATE HYDROCHLORIDE [MI];UNII-W24OD7YW48;DTXSID3047843;DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF LOGEN;Hydrochloride, Diphenoxylate;4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride;DIPHENOXYLATE HYDROCHLORIDE (EP MONOGRAPH);1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic Acid Ethyl Ester Hydrochloride; 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotic Acid Ethyl Ester Hydrochloride; 2,2-Diphenyl-4-(4-carbethoxy-4-phenyl-1-piperidino)butyronitrile Hydrochloride; R 1132;1-(3-cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride;DIPHENOXYLATE HYDROCHLORIDE (USP MONOGRAPH);Diphenoxylate Monohydrochloride;DIPHENOXYLATE HYDROCHLORIDE (MART.);SHTAFWKOISOCBI-UHFFFAOYSA-N;DIPHENOXYLATE HYDROCHLORIDE (USP-RS);Monohydrochloride, Diphenoxylate;223-287-6;

标识符

InChIKey:
SHTAFWKOISOCBI-UHFFFAOYSA-N
Inchi:
1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H
SMILES:
Cl.O(CC)C(C1(C2C=CC=CC=2)CCN(CCC(C#N)(C2C=CC=CC=2)C2C=CC=CC=2)CC1)=O

盐酸地芬诺酯(3810-80-8)物化性质

实验特性

  • LogP : 6.22318
  • PSA : 53.33000
  • 沸点 : 602.3°Cat760mmHg
  • 熔点 : 220.5-222 ºC
  • 闪点 : 318°C
  • 颜色与性状 : Solid powder

计算特性

  • 精确分子量 : 488.22300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 9
  • 同位素质量 : 452.246378
  • 重原子数量 : 35
  • 复杂度 : 666
  • 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 : 0
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 5.7
  • 拓扑分子极性表面积 : 53.3

盐酸地芬诺酯(3810-80-8)安全信息

盐酸地芬诺酯(3810-80-8)国际标准相关数据

EINECS:
223-287-6