Chem
J-GLOBAL ID:200907005518992718
Nikkaji number:J239.305K
Rodocaine
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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:
C18 H25 ClN2 O
Molecular formula furigana:
C18-H25-CL-N2-O
Molecular weight:
320.860
InChI:
InChI=1S/C18H25ClN2O/c1-13-5-2-8-15(19)18(13)20-17(22)10-12-21-11-4-7-14-6-3-9-16(14)21/h2,5,8,14,16H,3-4,6-7,9-12H2,1H3,(H,20,22)/t14-,16+/m1/s1
InChI key:
ICLIXBRUSBYXEV-ZBFHGGJFSA-N
SMILES:
Cc1cccc(Cl)c1NC(=O)CCN1CCC[C@H]2CCC[C@H]12
Systematic name (3):
(4aα,7aβ)-N-(2-クロロ-6-メチルフェニル)オクタヒドロ-1H-1-ピリンジン-1-プロパンアミド
3-[(4aR,7aS)-オクタヒドロ-1H-シクロペンタ[b]ピリジン-1-イル]-N-(2-クロロ-6-メチルフェニル)プロパンアミド
3-[(4aR,7aS)-octahydro-1H-cyclopenta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide
Other name (5):
(4aα,7aβ)-N-(2-Chloro-6-methylphenyl)octahydro-1H-1-pyrindine-1-propanamide
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Rodocaine
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