147511-70-4 ((3R,5S)-7-[2-环丙基-4-(4-氟苯基)-3-喹啉-基]-3,5-二羟基-6-庚酸(+)苯乙胺,Pitavastatin (+)-Phenylethylamine Salt)

CAS号:
147511-70-4
中文名称:
(3R,5S)-7-[2-环丙基-4-(4-氟苯基)-3-喹啉-基]-3,5-二羟基-6-庚酸(+)苯乙胺
英文名称:
Pitavastatin (+)-Phenylethylamine Salt
分子式:
C33H35FN2O4
分子量:
542.640412569046

(3R,5S)-7-[2-环丙基-4-(4-氟苯基)-3-喹啉-基]-3,5-二羟基-6-庚酸(+)苯乙胺(147511-70-4)名称与标识符

名称

中文别名:
(3R,5S)-7-[2-环丙基-4-(4-氟苯基)-3-喹啉-基]-3,5-二羟基-6-庚酸(+)苯乙胺;匹伐他汀苯乙胺盐;(3R,5S,6E)-7-[2-环丙基-4-(4-氟苯基)喹啉-3-基]-3,5-二羟基-6-庚烯酸(+)α-苯乙胺盐;(3R,5S)-7-[2-环丙基-4-(4-氟苯基)-3-喹啉基]-3,5-二羟基-6-庚烯酸 (+)-苯乙胺盐;
英文别名:
(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]- 3,5-dihydrosy-6-heptane acid,;6-HEPTENOIC ACID, 7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL] -3,5-DIHY -DROXY-, (3R,5S,6E)-, COMPD. WITH (R)-MET...;6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, (3R,5S,6E)-, compd. with (αR)-α-methylbenzenemethanamine (1:1);(+)-1-Phenylpentan-1-ol;(+)-1-Phenylpentanol;(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid (R)-1-phenylethylamine salt;(R)-1-phenyl-1-pentanol;(R)-1-phenylethanamine (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate;(R)-1-Phenylpentanol;1-phenyl-1-pentanol;phenyl n-butyl carbinol;pitavastatin (R)-1-phenylethylamine salt;pitavastatin phenylethanamine salt;y-6-heptenoic acid tert-butyl ester (3R,5S)-7-[2 cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-;(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydrosy-6-heptaneacid,(+)phenylethylamine;(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid (+)-phenylethylamine salt;6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl] -3,5-dihy -droxy-, (3R,5S,6E)-, coMpd. with (R)-MethylbenzeneMethanaMine (1:1);Pitavastatin (+)-Phenylethylamine Salt;147511-70-4;AKOS025401679;(3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-heptane acid (+)-phenylethylamine salt;(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydrosy-6-heptane acid,(+)phenyl ethylamine;(R)-1-phenylethan-1-amine (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate;AC-24414;(1R)-1-phenylethan-1-amine; (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;(1R)-1-phenylethanamine;

标识符

InChIKey:
NWJUCTSWJKMGJX-FLBGKGFLSA-N
Inchi:
1S/C25H24FNO4.C8H11N/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;1-7(9)8-5-3-2-4-6-8/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);2-7H,9H2,1H3/b12-11+;/t18-,19-;7-/m11/s1
SMILES:
FC1C=CC(=CC=1)C1C2C=CC=CC=2N=C(C=1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C1CC1.N[C@H](C)C1C=CC=CC=1

(3R,5S)-7-[2-环丙基-4-(4-氟苯基)-3-喹啉-基]-3,5-二羟基-6-庚酸(+)苯乙胺(147511-70-4)物化性质

实验特性

  • LogP : 6.92470
  • PSA : 116.67000

计算特性

  • 精确分子量 : 542.25800
  • 氢键供体数量 : 4
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 9
  • 同位素质量 : 542.25808576g/mol
  • 重原子数量 : 40
  • 复杂度 : 706
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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 : 2
  • 拓扑分子极性表面积 : 117Ų

(3R,5S)-7-[2-环丙基-4-(4-氟苯基)-3-喹啉-基]-3,5-二羟基-6-庚酸(+)苯乙胺(147511-70-4)推荐厂家 更多厂家(6)