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Chem
J-GLOBAL ID：201707020789016007
Nikkaji number：J3.608.186D 1-Methyl-7β-[[4-(2,6-dichlorophenyl)piperidino]methyl]-6,7,8,9-tetrahydro-5H-benzocycloheptene-5β-ol
1-メチル-7β-[[4-(2,6-ジクロロフェニル)ピペリジノ]メチル]-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン-5β-オール
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
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
Molecular formula： C24H29Cl2NO
Molecular formula furigana： C24-H29-CL2-N-O
Molecular weight： 418.400
InChI：
InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3/t17-,23-/m0/s1
InChI key：
OHRDCQFCAWLDBP-SBUREZEXSA-N
SMILES：
Cc1cccc2[C@@H](O)C[C@@H](CN3CCC(CC3)c3c(Cl)cccc3Cl)CCc12
Systematic name (3)： - 1-メチル-7β-[[4-(2,6-ジクロロフェニル)ピペリジノ]メチル]-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン-5β-オール
- (5S,7S)-7-{[4-(2,6-ジクロロフェニル)ピペリジン-1-イル]メチル}-1-メチル-6,7,8,9-テトラヒドロ-5H-ベンゾ[7]アンヌレン-5-オール
- (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
- 1-Methyl-7β-[[4-(2,6-dichlorophenyl)piperidino]methyl]-6,7,8,9-tetrahydro-5H-benzocycloheptene-5β-ol
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