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亚罗普斯特 | 78919-13-8

亚罗普斯特
Iloprost
78919-13-8
C22H32O4
360.487087249756
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:亚罗普斯特结构式
5311181
亚罗普斯特价格
简介
Iloprost (ZK 36374; Ciloprost) 是一种前列环素 PGI2 类似物,参与胚胎发育和炎症改善,抑制肿瘤转移。Iloprost 可用于外周血管疾病的研究。
名称和标识符
MDL MFCD00867145
InChIKey HIFJCPQKFCZDDL-ACWOEMLNSA-N
Inchi 1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
SMILES C(/[C@H]1[C@H](O)C[C@@H]2C/C(/C[C@H]12)=C\CCCC(=O)O)=C\[C@@H](O)C(C)CC#CC
别名信息
- 中文别名 -
  • 亚罗普斯特
  • 5-[六氢-5-羟基-4-(3-羟基-4-甲基-1-辛烯-6-炔基)-2(1H)-亚戊搭烯基]戊酸
  • 7-甲氧基喹啉
  • 伊洛前列素
- 英文别名 -
  • Pentanoic acid,5-[(3aS,4R,5R,6aS)-hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2(1H)-pentalenylidene]-,(5E)-
  • Iloprost
  • 5-{(E)-(1S,5S,6R,7R)-7-hydroxy-6-[(E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl]-bicyclo[3.3.0]octa-3-ylidene)-pentanoic acid
  • 5-{(E)-(1S,5S,6R,7R)-7-hydroxy-6-[(E)-(3S,4RS)-3-hydroxy-4-methyl-5-octen-6-inyl]-bicyclo[3.3.0]-octan-3-ylidene}pentenoic acid
  • Ataprost [INN]
  • Ataprostum
  • Ataprostum [INN-Latin]
  • Ciloprost
  • Pentanoic acid,5-(4-(3-cyclopentyl-3-hydroxy-1-propenyl)hexahydro-5-hydroxy-2(1H)-pentalenylidene)-,(3aS-(2E,3aalpha,4alpha(1E,
  • ZK 36374
  • ZK-36374
  • 5-(Hexahydro-5-hydroxy-4-(3-hydroxy-4-methyl-1-octen-6-ynyl)-2(1H)-pentalenylidene)pentanoic acid
  • DTXCID001333799
  • 78919-13-8
  • ILOPROST [EMA EPAR]
  • HY-A0096
  • ILOPROST [JAN]
  • ZK 00036374
  • ILOPROST [INN]
  • BRD-A45664787-001-01-4
  • HIFJCPQKFCZDDL-ACWOEMLNSA-N
  • Q20817139
  • AKOS024456922
  • DB01088
  • Ventavis (TN)
  • D02721
  • CHEMBL494
  • (5E)-5-((3aS,4R,5R,6aS)-5-hydroxy-4-((1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid
  • ILOPROST [USAN]
  • Ilomedine
  • (E)-5-(3aS,4R,5R,6aS)-5-Hydroxy-4((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-inyl)perhydropentalen-2-yliden)valeriansaeure
  • (16R,S)-methyl-18,18,19,19-tetradehydro-6a-carbaprostaglandin I2
  • ILOPROST (MART.)
  • Ilomedin
  • Iloprostum
  • NCGC00181784-01
  • JED5K35YGL
  • SR-05000001498-1
  • UNII-JED5K35YGL
  • BAY Q6256
  • (E)-5-((3aS,4R,5R,6aS)-5-Hydroxy-4-((3S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid
  • B01AC11
  • 5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-octahydropentalen-2-ylidene]pentanoic acid
  • Iloprostum (Latin)
  • ILOPROST
  • SH-401
  • EX-A6213
  • Pentanoic acid, 5-(hexahydro-5-hydroxy-4-(3-hydroxy-4-methyl-1-octen-6-ynyl)-2(1H)-pentalenylidene)-
  • EN300-21702615
  • Endoprost
  • MS-25711
  • [3H]-Iloprost
  • BRD-A45664787-001-02-2
  • ILOPROST [MART.]
  • (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
  • 85026-51-3
  • Iloprost [USAN:INN:BAN]
  • BDBM23954
  • (16R,S)-Methyl-18,18,19,19-tetradehydro-6a-carbaprostaglandin I(sub 2)
  • BAY-q-6256
  • ILOPROST [ORANGE BOOK]
  • CAS-78919-13-8
  • HMS2090A19
  • Iloprost Clathrate
  • ILOPROST [VANDF]
  • ILOPROST [WHO-DD]
  • ZK-00036374
  • Iloprost, >=98% (HPLC)
  • Iloprostum [Latin]
  • CS-5586
  • (E)-(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl)-delta(sup 2(1H),delta)-pentalenevaleric acid
  • Tox21_113586
  • SR-05000001498-2
  • (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid
  • (1S,2R,3R,5S)-7-[(E)-4-carboxybutylidene]-2-[(3S,1E)-3-hydroxy-4-methyl-6-octyne-1-enyl]-3-hydroxybicyclo[3.3.0]octane
  • ILOPROST [MI]
  • E-1030
  • (Z)-5-((3aS,4R,5R,6aS)-5-hydroxy-4-((3S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid
  • Ventavis
  • (5E)-(3AS,4R,5R,6AS)-5-HYDROXY-4-((1E)-(3S,4RS)-3-HYDROXY-4-METHYLOCT-1-EN-6-YNYL)-HEXAHYDROPENTALEN-2(1H)-YLIDENE)PENTANOIC ACID
  • DTXSID2041046
  • ACETICACID2-TERT-BUTYL-4-METHYLPHENYLESTER
  • PENTANOIC ACID, 5-((3AS,4R,5R,6AS)-HEXAHYDRO-5-HYDROXY-4-((1E,3S)-3-HYDROXY-4-METHYL-1-OCTEN-6-YNYL)-2(1H)-PENTALENYLIDENE)-, (5E)-
  • (5E)-5-[(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-ynyl]-2(1H)-pentalenylidene]pentanoic acid
  • Iloprost (USAN/INN)
  • SCHEMBL6083382
  • CHEBI:63916
  • 15(R)-Iloprost
  • SR-05000001498
  • (5E)-[3aS,4R,5R,6aS)-5-Hydroxy-4-[(1E)-(3S,4RS)-3-hydroxy-4-methyloct-1-en-6-ynyl]-hexahydropentalen-2(1H)-ylidene]pentanoic acid
  • J-502615
  • (5E)-5-[(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2(1H)-pentalenylidene]pentanoic acid (ACI)
  • Pentanoic acid, 5-[(3aS,4R,5R,6aS)-hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-ynyl]-2(1H)-pentalenylidene]-, (5E)- (9CI)
  • (1S,2R,3R,5S)-7-[(E)-4-Carboxybutylidene]-2-[(3S,1E)-3-hydroxy-4-methyl-6-octyn-1-enyl]-bicyclo[3.3.0]octane
  • MeSH ID: D016285
物化性质
实验特性
LogP 3.54130
PSA 77.76000
折射率 1.629
沸点 539.2°C at 760 mmHg
熔点 115.7 DEG C
闪点 294°C
颜色与性状 由1
密度 1.21
计算特性
精确分子量 360.23000
氢键供体数量 3
氢键受体数量 4
可旋转化学键数量 8
同位素质量 360.23
重原子数量 26
复杂度 606
同位素原子数量 0
确定原子立构中心数量 5
不确定原子立构中心数量 1
确定化学键立构中心数量 1
不确定化学键立构中心数量 1
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.8
拓扑分子极性表面积 77.8A^2
海关数据
海关编码 2918199090
海关数据

中国海关编码:

2918199090

概述:

HS: 2918199090. 其他含醇基但不含其他含氧基羧酸(包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

生产方法和用途
用途 其药效性质和前列环素相似,均是血小板活化的强力抑制剂。用于心绞痛,动脉硬化。;
生产方法 由化合物(I)出发,经中间体Ⅱ得到伊洛前列素。
相关文献
专业数据库参考
PubChemId 5311181
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