Chem
J-GLOBAL ID:201407022254110225
Nikkaji number:J3.300.754J
AFQ-056
マボグルラント
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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:
C19 H23 NO3
Molecular formula furigana:
C19-H23-N-O3
Molecular weight:
313.397
InChI:
InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
InChI key:
ZFPZEYHRWGMJCV-ZHALLVOQSA-N
SMILES:
COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1
Systematic name (3):
(3aR,4S,7aR)-4-ヒドロキシ-4-[(3-メチルフェニル)エチニル]オクタヒドロ-1H-インドール-1-カルボン酸メチル
メチル (3aR,4S,7aR)-4-ヒドロキシ-4-[2-(3-メチルフェニル)エチニル]-オクタヒドロ-1H-インドール-1-カルボキシラート
methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-octahydro-1H-indole-1-carboxylate
Other name (4):
(3aR,4S,7aR)-4-Hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylic acid methyl ester
マボグルラント
Mavoglurant
AFQ-056
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