129-03-3 (塞庚啶,Cyproheptadine)

结构式:
CAS号:
129-03-3
中文名称:
塞庚啶
英文名称:
Cyproheptadine
分子式:
C21H21N
分子量:
287.398145437241
简介:
赛庚啶(二苯环庚啶)Cyproheptadine 为抗过敏药,对抗体内组胺对血管、支气管平滑肌的作用,从而消除过敏症状。赛庚啶可用于荨麻疹、湿疹、过敏性和接触性皮炎、皮肤瘙痒等过敏反应。

塞庚啶(129-03-3)名称与标识符

名称

中文别名:
塞庚啶;二苯环庚啶;甲哌啶叉二苯环庚啶;
英文别名:
4-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine;Cyproheptadine;1-methyl-4-(5-dibenzo[a,e]cycloheptatrienylidene)piperidine;4-dibenzo[a,d]cyclohepten-5-ylidene-1-methyl-piperidine;Cypoheptadine;cyproheptadiene;Dronactin;Eiproheptadine;MK 141;Periactin;Periactin(R);Periactine;Periactinol;1-Methyl-4-(5H-dibenzo[a,d]cycloheptenylidene)piperidine;1-Methyl-4-(dibenzo[a,e]cycloheptatrien-5-ylidene)piperidine;4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine;Cycloheptadine;AKOS NCG1-0040;1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)piperidine;NCGC00015252-13;SPBio_002025;BSPBio_000086;NCGC00015252-01;BDBM50017721;NCGC00015252-10;Tocris-0996;CYPROHEPTADINE [MI];BRD-K28143534-001-03-0;cyproheptidine;Prestwick1_000103;SCHEMBL4021;AKOS004119847;Ciproheptadina [INN-Spanish];Ciprovit (TN);NCGC00015252-08;1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}piperidine;ciproeptadina;NS00004763;NCGC00024293-02;DTXSID8022872;SBI-0050234.P002;NCGC00015252-02;CCG-204341;1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine;Prestwick0_000103;BRD-K28143534-003-03-6;4-(dibenzo[[?],[?]][7]annulen-11-ylidene)-1-methyl-piperidine;Q417884;CAS-969-33-5;Reactin;A915360;NCGC00015252-05;4-(5H-dibenzo(a,d)(7)annulen-5-ylidene)-1-methylpiperidine;Tox21_110112;NCGC00024293-05;R06AX02;DTXCID702872;HY-B1622;5-(1-METHYLPIPERIDYLIDENE-4)-5H-DIBENZO;CYPROHEPTADINE [INN];4-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidene;Lopac-C-6022;SDCCGSBI-0050234.P003;Prestwick2_000103;CYPROHEPTADINE [VANDF];BRD-K28143534-001-01-4;NCGC00015252-07;5-20-08-00500 (Beilstein Handbook Reference);Ciproheptadina;BPBio1_000096;D07765;Oprea1_498140;Ciprovit;NCGC00015252-03;DB00434;FT-0631755;BRN 1685976;Cyproheptadinum [INN-Latin];EINECS 204-928-9;Cyproheptadine (INN);PDSP1_001229;4-(5H-DIBENZO;VS-02784;NCGC00015252-09;Cyproheptadinum;PDSP2_001213;4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine;CCRIS 5232;CAS-129-03-3;C06935;EN300-18552723;CYPROHEPTADINE [WHO-DD];4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidinehydrochloride;Piperidine, 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methyl-;1-methyl-4-{tricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine;HSDB 3048;Cyproheptadin;Ciproheptadina (INN-Spanish);NCGC00015252-04;4-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine;CYPROHEPTADINE [HSDB];NCGC00015252-12;1-Methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidine;UNII-2YHB6175DO;CHEMBL516;Cyproheptadine [INN:BAN];Tox21_110112_1;NCGC00015252-06;41354-29-4;1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine;BIDD:GT0324;BPBio1_000155;1-METHYL-4-(5H-DIBENZO;DL-136;4-(5-Dibenzo(a,d)cyclohepten-5-ylidine)-1-methylpiperidine;L001016;Peritol (Salt/Mix);Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-;4-(Dibenzo[1,2-A:2',1'-D][7]annulen-11-Ylidene)-1-Methyl-Piperidine;1-methyl-4-{tricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-ylidene}piperidine;BRD-K28143534-003-14-3;5-(1-Methylpiperidylidene-4)-5H-dibenzo(a,d)cyclopheptene;CHEBI:4046;Prestwick3_000103;HMS2090P20;2YHB6175DO;CS-0013555;Lopac0_000246;Cyproheptadinum (INN-Latin);4-Dibenzo(a,d)cyclohepten-5-ylidene-1-methyl-piperidine;Biomol-NT_000131;NCGC00024293-04;GTPL277;1-METHYL-4-(5-DIBENZO;NCGC00015252-26;Peritol;129-03-3;BBL010977;BRD-K28143534-003-25-9;DB-241419;BRD-K28143534-001-02-2;BRD-K28143534-003-24-2;BRD-K28143534-003-26-7;Cycloheptadine; Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-; 4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine; 1-Methyl-4-(5H-dibenzo[a,d]cycloheptenylidene)piperidine; 1-Methyl-4-(dibenzo[a,e]cycloheptatrien-5-ylidene)piperidine; Cyclohepta;STK802098;DB-041917;Cyproheptadine (Standard);HY-B1622R;204-928-9;

标识符

MDL:
MFCD00242817
InChIKey:
JJCFRYNCJDLXIK-UHFFFAOYSA-N
Inchi:
1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
SMILES:
N1(C)CC/C(=C2\C3C=CC=CC=3C=CC3=CC=CC=C\23)/CC1

塞庚啶(129-03-3)物化性质

实验特性

  • LogP : 5.43780
  • PSA : 3.24000
  • 折射率 : 1.8240 (estimate)
  • 沸点 : 419.7°C (rough estimate)
  • 熔点 : 112.3-113.3°
  • 密度 : 0.9917 (rough estimate)

计算特性

  • 精确分子量 : 323.14400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 0
  • 同位素质量 : 287.167399674g/mol
  • 重原子数量 : 22
  • 复杂度 : 423
  • 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) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 3.2Ų

塞庚啶(129-03-3)安全信息

塞庚啶(129-03-3)国际标准相关数据

EINECS:
204-928-9

塞庚啶(129-03-3)海关数据

海关编码:
29143900
海关数据:

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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