Chem
J-GLOBAL ID:200907050822906424
Nikkaji number:J1.996.201F
Torcetrapib
トルセトラピブ
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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:
C26 H25 F9 N2 O4
Molecular formula furigana:
C26-H25-F9-N2-O4
Molecular weight:
600.482
InChI:
InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1
InChI key:
CMSGWTNRGKRWGS-NQIIRXRSSA-N
SMILES:
CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F
Systematic name (4):
(2R)-2α-エチル-4α-[[3,5-ビス(トリフルオロメチル)ベンジル](メトキシカルボニル)アミノ]-6-(トリフルオロメチル)-1,2,3,4-テトラヒドロキノリン-1-カルボン酸エチル
(2R,4S)-4-[[[3,5-ビス(トリフルオロメチル)フェニル]メチル](メトキシカルボニル)アミノ]-2-エチル-6-(トリフルオロメチル)-1,2,3,4-テトラヒドロキノリン-1-カルボン酸エチル
エチル (2R,4S)-4-({[3,5-ビス(トリフルオロメチル)フェニル]メチル}(メトキシカルボニル)アミノ)-2-エチル-6-(トリフルオロメチル)-1,2,3,4-テトラヒドロキノリン-1-カルボキシラート
ethyl (2R,4S)-4-({[3,5-bis(trifluoromethyl)phenyl]methyl}(methoxycarbonyl)amino)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-1-carboxylate
Other name (7):
CAS registry number:
262352-17-0
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