Chem
J-GLOBAL ID：200907006695855964
Nikkaji number：J1.946.741D
(4S)-4β-[(4S)-2,2-Dimethyl-1,3-dioxolane-4β-yl]-8-bromo-3,3aα,4,9bα-tetrahydro-5H-cyclopenta[c]quinoline
(4S)-4β-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4β-イル]-8-ブロモ-3,3aα,4,9bα-テトラヒドロ-5H-シクロペンタ[c]キノリン
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： C17H20BrNO2
Molecular formula furigana： C17-H20-BR-N-O2
Molecular weight： 350.256
InChI：
InChI=1S/C17H20BrNO2/c1-17(2)20-9-15(21-17)16-12-5-3-4-11(12)13-8-10(18)6-7-14(13)19-16/h3-4,6-8,11-12,15-16,19H,5,9H2,1-2H3/t11-,12+,15+,16-/m0/s1
InChI key：
NVQZBASKPIGDDF-OJDYBEQGSA-N
SMILES：
CC1(C)OC[C@@H](O1)[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]12
Systematic name (3)：
- (4S)-4β-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4β-イル]-8-ブロモ-3,3aα,4,9bα-テトラヒドロ-5H-シクロペンタ[c]キノリン
- (3aR,4S,9bS)-8-ブロモ-4-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-3H,3aH,4H,5H,9bH-シクロペンタ[c]キノリン
- (3aR,4S,9bS)-8-bromo-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
- (4S)-4β-[(4S)-2,2-Dimethyl-1,3-dioxolane-4β-yl]-8-bromo-3,3aα,4,9bα-tetrahydro-5H-cyclopenta[c]quinoline
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