41639-74-1 (拉坦前列腺素,PGX 9)

CAS号:
41639-74-1
中文名称:
拉坦前列腺素
英文名称:
PGX 9
分子式:
C18H22O4
分子量:
302.364885807037

拉坦前列腺素(41639-74-1)名称与标识符

名称

中文别名:
拉坦前列腺素;(+)-(3aR,4R,5r,6aS)-六氢-5-羟基-4-[(1E,3R)-3-羟基-5-苯基-1-戊烯基]-2H-环戊并[b]呋喃-2-酮;2H-环戊并[B]呋喃-2-酮,六氢-5-羟基-4-[(1E,3S)-3-羟基-5苯基-1-戊烯-1-基]-,(3AR,4R,5R,6AS)-(...);
英文别名:
(3aR,4R,5R,6aS)-5-Hydroxy-4-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one;Bimaprost;Latanprost;(3aR,4R,5R,6aS)-5-hydroxy-4-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-;HYDRIDE-L;Lactondiol B;(1S,5R,6R,7R)-6-[(3S)-3-hydroxy-5-phenyl-1-E-pentenyl]-7-hydroxy-2-oxabicyclo[3.3.0]octan-3-one;(3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one;1(S)-2oxa-3-oxo-6R-(3S-hydroxy-5-phenyl-1-trans-pentenyl)-(7R)-hydroxy-cis-bicyclo[3.3.0]octane;PFIFPUGALHSEKD-RKCGEVCRSA-N;AKOS016004340;A855000;PGX 9;SCHEMBL1364380;41639-74-1;2H-Cyclopenta[b]furan-2-one,hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-,(3aR,4R,5R,6aS)-;(3aR,4R,5R,6aS)-hexahydro-5-hydroxy-4-((S,E)-3-hydroxy-5-phenylpent-1-enyl)cyclopenta[b]furan-2-one;(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(3aR,4R,5R,6aS)-5-Hydroxy-4-[(S,E)-3-hydroxy-5-phenylpent-1-en-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one;(+)-(3Ar,4R,5R,6as)-hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-2-one;J-501159;AMY30082;CS-0452285;F2THX64HBQ;(3aR,4R,5R,6aS)-4-((3S,E)-3-Hydroxy-5-phenyl-1-penten-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-ol;PGX 9; 2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-; 2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-(3-hydroxy-5-phenyl-1-pentenyl)-, [3aR-[3aa,4a(1E,3S*),5ss,6aa]]-; 2H-Cyclopenta[b]furan-2-;(3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2-one;Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2-one, (3aR,4R,5R,6aS)-;

标识符

MDL:
MFCD11042270
InChIKey:
PFIFPUGALHSEKD-RKCGEVCRSA-N
Inchi:
1S/C18H22O4/c19-13(7-6-12-4-2-1-3-5-12)8-9-14-15-10-18(21)22-17(15)11-16(14)20/h1-5,8-9,13-17,19-20H,6-7,10-11H2/b9-8+/t13-,14+,15+,16+,17-/m0/s1
SMILES:
O1C(C[C@H]2[C@@H]1C[C@H]([C@@H]2/C=C/[C@H](CCC1C=CC=CC=1)O)O)=O

拉坦前列腺素(41639-74-1)物化性质

实验特性

  • LogP : 1.84880
  • PSA : 66.76000
  • 折射率 : 1.64
  • 沸点 : 509.18℃ at 760 mmHg
  • 闪点 : 185.604 °C
  • 密度 : 1.287

计算特性

  • 精确分子量 : 302.15200
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 302.15180918g/mol
  • 重原子数量 : 22
  • 复杂度 : 413
  • 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 : 0
  • 确定化学键立构中心数量 : 1
  • 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) : 1.9
  • 拓扑分子极性表面积 : 66.8Ų

拉坦前列腺素(41639-74-1)安全信息

拉坦前列腺素(41639-74-1)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%

拉坦前列腺素(41639-74-1)推荐厂家 更多厂家(17)

拉坦前列腺素(41639-74-1)上下游