Chem
J-GLOBAL ID:200907066267692298
Nikkaji number:J640.860E
Itavastin
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C25 H24 FNO4
Molecular formula furigana:
C25-H24-F-N-O4
Molecular weight:
421.468
InChI:
InChI=1S/C25H24FNO4/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/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
InChI key:
VGYFMXBACGZSIL-MCBHFWOFSA-N
SMILES:
O[C@H](C[C@H](O)/C=C/c1c(nc2ccccc2c1c1ccc(F)cc1)C1CC1)CC(=O)O
Systematic name (6):
(3R,5S,6E)-3,5-ジヒドロキシ-7-[2-シクロプロピル-4-(4-フルオロフェニル)キノリン-3-イル]-6-ヘプテン酸
(3R,5S,6E)-3,5-ジヒドロキシ-7-[2-シクロプロピル-4-(4-フルオロフェニル)-3-キノリル]-6-ヘプテン酸
(3R,5S,7E)-7-[2-シクロプロピル-4-(4-フルオロフェニル)-3-キノリニル]-3,5-ジヒドロキシ-6-ヘプテン酸
(3R,5S,6E)-7-[2-シクロプロピル-4-(4-フルオロフェニル)キノリン-3-イル]-3,5-ジヒドロキシ-6-ヘプテン酸
(3R,5S,6E)-7-[2-シクロプロピル-4-(4-フルオロフェニル)キノリン-3-イル]-3,5-ジヒドロキシヘプタ-6-エン酸
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
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Other name (5):
(3R,5S,6E)-3,5-Dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-6-heptenoic acid
(3R,5S,7E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid
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Itavastin
(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)quinoline-3-yl]-3,5-dihydroxy-6-heptenoic acid
CAS registry number:
147511-69-1
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