Chem
J-GLOBAL ID:200907043346510545
Nikkaji number:J918.252G LY-335979 LY-335979
Download MOL file 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: C32 H31 F2 N3 O2 Molecular formula furigana:
C32-H31-F2-N3-O2
Molecular weight:
527.616
InChI:
InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31?/m1/s1
InChI key:
IHOVFYSQUDPMCN-XAKVHENESA-N
SMILES:
O[C@@H](COc1cccc2ncccc12)CN1CCN(CC1)C1c2ccccc2[C@@H]2[C@H](c3ccccc13)C2(F)F
Systematic name (5): (2R)-1-[4-[(1,1-ジフルオロ-1,1aα,6,10bα-テトラヒドロジベンゾ[a,e]シクロプロパ[c]シクロヘプテン)-6α-イル]ピペラジノ]-3-(5-キノリルオキシ)-2-プロパノール (R)-1-[4-[(1aS)-1,1-ジフルオロ-1,1aβ,6,10bβ-テトラヒドロジベンゾ[a,e]シクロプロパ[c]シクロヘプテン-6β-イル]-1-ピペラジニル]-3-(5-キノリニルオキシ)-2-プロパノール (R)-4-[(1aα,10bα)-1,1-ジフルオロ-1,1a,6,10b-テトラヒドロジベンゾ[a,e]シクロプロパ[c]シクロヘプテン-6α-イル]-α-[(5-キノリニルオキシ)メチル]-1-ピペラジンエタノール (2R)-1-{4-[(2R,4S)-3,3-ジフルオロテトラシクロ[10.4.0.02,4 .05,10 ]ヘキサデカ-1(16),5,7,9,12,14-ヘキサエン-11-イル]ピペラジン-1-イル}-3-(キノリン-5-イルオキシ)プロパン-2-オール (2R)-1-{4-[(2R,4S)-3,3-difluorotetracyclo[10.4.0.02,4 .05,10 ]hexadeca-1(16),5,7,9,12,14-hexaen-11-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol Other name (7): LY-335979 (2R)-1-[4-[(1,1-Difluoro-1,1aα,6,10bα-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten)-6α-yl]piperazino]-3-(5-quinolyloxy)-2-propanol (R)-1-[4-[(1aS)-1,1-Difluoro-1,1aβ,6,10bβ-tetrahydrodibenzo[a,e]cyclopropa[c]cycloheptene-6β-yl]-1-piperazinyl]-3-(5-quinolinyloxy)-2-propanol (R)-4-[(1aα,10bα)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cycloheptene-6α-yl]-α-[(5-quinolinyloxy)methyl]-1-piperazineethanol ゾスキダール
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CAS registry number:
167354-41-8
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