34580-13-7 (酮替芬,Ketotifen)

结构式:
CAS号:
34580-13-7
中文名称:
酮替芬
英文名称:
Ketotifen
分子式:
C19H19NOS
分子量:
309.425263643265
简介:
Ketotifen (HC 20-511) 是一种具有口服活性的第二代非竞争性组胺 1 (H1) 受体阻滞剂和肥大细胞稳定剂。Ketotifen 可在体外阻断 6-磷酸葡萄糖酸脱氢酶 (6-PGD)。Ketotifen 还对 SARS-CoV-2 和流感病毒 (Influenza virus) 具有抗病毒活性。Ketotifen 可用于自身免疫性脑脊髓炎 (EAE) 和预防哮喘发作的研究。

酮替芬(34580-13-7)名称与标识符

名称

中文别名:
酮替芬;4,9-二氢-4-(1-甲基-4-亚哌啶基)-10H-苯并[4,5]环庚[1,2-B]噻吩-10-酮;富马酸酮替芬;酮替芬 标准品;
英文别名:
Ketotifen;Ketotifen [INN:BAN];4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one;BRN 3983897;HC 20-511;HSDB 7283;Ketotifene;Ketotifene [INN-French];Ketotifeno;Ketotifeno [INN-Spanish];Ketotifenum;Ketotifenum [INN-Latin];10H-Benzo(4,5)cyclohepta(1,2-b)thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one;KETOTIFEN BASE;Ketotiphen;Ketotiphene;Zaditen;4-(1-Methyl-4-piperidinylidene)-4H-benzo[4,5]cyclohepta[1,2-d]thiophene-10(9H)-one;Spectrum_000426;BDBM50002087;Ketotifene (INN-French);KETOTIFEN HYDROGEN FUMARATE IMPURITY E [EP IMPURITY];DTXCID203190;Spectrum3_001382;CHEMBL534;NCGC00015580-03;10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (2E)-2-butenedioate (1:1);SR-01000000175-7;BRD-K28936863-051-18-1;AKOS000541268;10-(1-methyl-4-piperidylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one;maleate;Ketotifin;10-(1-methyl-4-piperidinylidene)-5H-benzo(1,2)cyclohepta(3,4-b)thiophen-4-one;(Z)-but-2-enedioate;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one;KBio2_000906;NCGC00015580-13;NCGC00015580-08;CHEBI:92511;cid_5282408;A918910;4-(1-Methyl-4-piperidinylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one #;NCGC00015580-11;Lopac-K-2628;Spectrum4_000805;4,9-DIHYDRO-4-(1-METHYL-4-PIPERIDINYLIDENE)-10H-BENZO(4,5)CYCLOHEPTA(1,2-B)-THIOPEN-10-ONE;DTXSID7023190;Alaway (TN);4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one(Ketotifen);BSPBio_000521;cid_45479747;AB00053575_22;X49220T18G;NCGC00015580-05;NINDS_000111;NCGC00015580-04;4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one;4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one;KBio1_000111;AB00053575-21;CAS-34580-13-7;SCHEMBL4436;Spectrum2_001198;BPBio1_000575;Oprea1_553550;(Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one;SDCCGSBI-0050684.P005;BRD-K28936863-051-05-8;GTPL7206;CCG-204791;NCGC00015580-06;Ketotifen (INN);10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-;CS-0013637;KETOTIFEN [WHO-DD];AB00053575;(-)-Ketotifen;AC-15945;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),4,11,13-pentaen-8-one;Prestwick0_000371;HMS2090F16;L000753;S01GX08;KETOTIFEN [MI];Tox21_110176;IDI1_000111;F97963;DTXSID701019837;4,9-dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo;US9333199, KETOTIFEN;SR-01000000175;Tox21_110176_1;4-(1-Methyl-4-piperidylidene)-9-hydrobenzo[a]thiopheno[3,2-d][7]annulen-10-one;NCGC00022572-02;NCGC00022572-05;EINECS 252-099-7;Prestwick1_000371;Prestwick3_000371;4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one(Ketotifen hydrogen malate);4,9-dihydro-4-(1-methyl-4-piperidinylidene)-10h-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one;SPBio_001275;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.0,3,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one;CAS-34580-14-8;KBio2_006042;Lopac0_000706;GLXC-25233;34580-13-7;NCGC00015580-09;NCGC00022572-04;4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo(4,5)-cyclohepta(1,2-b)thiophen-10-one;DB00920;(R)-Ketotifen;KETOTIFEN [INN];HC 20511 fumarate;HY-B0157;KBio3_002184;Zaditor;Tocris-0784;Prestwick2_000371;Oprea1_335550;R06AX17;NCGC00015580-01;NCGC00015580-23;KBioSS_000906;KETOTIFEN [HSDB];SPBio_002442;Spectrum5_001395;DivK1c_000111;10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one;Ketotifene fumarate;NCGC00015580-10;SBI-0050684.P004;MLS002222254;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;Ketotifeno (INN-Spanish);BDBM94597;HC-20511;US9138431, KETOTIFEN;SMR001307257;KBio2_003474;D08105;KBioGR_001289;NCGC00015580-07;NCGC00015580-02;10-(1-methyl-4-piperidylidene)-5H-benzo[[?]:[?]]cyclohepta[[?]]thiophen-4-one;BSPBio_002964;BIDD:GT0509;EN300-18530986;4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one;4-(1-methyl-4-piperidylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one;UNII-X49220T18G;AB00053575_23;Ketotifenum (INN-Latin);Q2458673;116655-76-6;4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one;KETOTIFEN [VANDF];BRD-K28936863-051-31-4;NS00009685;BRD-K28936863-051-33-0;BRD-K28936863-051-32-2;DA-54624;STK048448;

标识符

InChIKey:
ZCVMWBYGMWKGHF-UHFFFAOYSA-N
Inchi:
1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
SMILES:
S1C=CC2=C1C(CC1C=CC=CC=1/C/2=C1/CCN(C)CC/1)=O

酮替芬(34580-13-7)物化性质

实验特性

  • LogP : 3.95230
  • PSA : 48.55000
  • 沸点 : 488.9°Cat760mmHg
  • 熔点 : 152-153 ºC
  • 闪点 : 249.5°C
  • 密度 : 1.236

计算特性

  • 精确分子量 : 309.11900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 309.119
  • 重原子数量 : 22
  • 复杂度 : 476
  • 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) : 3.2
  • 拓扑分子极性表面积 : 48.6A^2

酮替芬(34580-13-7)国际标准相关数据

EINECS:
252-099-7

酮替芬(34580-13-7)推荐厂家 更多厂家(15)

酮替芬(34580-13-7)上下游

酮替芬(34580-13-7)相关文献