Chem
J-GLOBAL ID:200907088424813286
Nikkaji number:J2.620.043A
Anacetrapib
アナセトラピブ
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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:
C30 H25 F10 NO3
Molecular formula furigana:
C30-H25-F10-N-O3
Molecular weight:
637.518
InChI:
InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
InChI key:
MZZLGJHLQGUVPN-HAWMADMCSA-N
SMILES:
COc1cc(F)c(cc1c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C
Systematic name (4):
(4S,5R)-5-[3,5-ビス(トリフルオロメチル)フェニル]-3-[[4′-フルオロ-2′-メトキシ-5′-イソプロピル-4-(トリフルオロメチル)ビフェニル-2-イル]メチル]-4-メチル-2-オキサゾリジノン
(4S,5R)-3-[5-(トリフルオロメチル)-2-(2-メトキシ-4-フルオロ-5-イソプロピルフェニル)ベンジル]-4-メチル-5-[3,5-ビス(トリフルオロメチル)フェニル]オキサゾリジン-2-オン
(4S,5R)-5-[3,5-ビス(トリフルオロメチル)フェニル]-3-{[4'-フルオロ-2'-メトキシ-5'-(プロパン-2-イル)-4-(トリフルオロメチル)-[1,1'-ビフェニル]-2-イル]メチル}-4-メチル-1,3-オキサゾリジン-2-オン
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
Other name (5):
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[4′-fluoro-2′-methoxy-5′-isopropyl-4-(trifluoromethyl)biphenyl-2-yl]methyl]-4-methyl-2-oxazolidinone
アナセトラピブ
Anacetrapib
(4S,5R)-3-[5-(Trifluoromethyl)-2-(2-methoxy-4-fluoro-5-isopropylphenyl)benzyl]-4-methyl-5-[3,5-bis(trifluoromethyl)phenyl]oxazolidine-2-one
TA-8995
CAS registry number:
875446-37-0
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