Chem
J-GLOBAL ID:200907047571312073
Nikkaji number:J1.273.330E
(1R)-1β-Hydroxy-3β-methoxy-4α-bromo-1,2,3,4-tetrahydroisoquinoline-2-carbonitrile
(1R)-1β-ヒドロキシ-3β-メトキシ-4α-ブロモ-1,2,3,4-テトラヒドロイソキノリン-2-カルボニトリル
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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:
C11 H11 BrN2 O2
Molecular formula furigana:
C11-H11-BR-N2-O2
Molecular weight:
283.125
InChI:
InChI=1S/C11H11BrN2O2/c1-16-11-9(12)7-4-2-3-5-8(7)10(15)14(11)6-13/h2-5,9-11,15H,1H3/t9-,10-,11+/m1/s1
InChI key:
CNMDVKNGIGOCOC-MXWKQRLJSA-N
SMILES:
CO[C@H]1[C@H](Br)c2ccccc2[C@@H](O)N1C#N
Systematic name (3):
(1R)-1β-ヒドロキシ-3β-メトキシ-4α-ブロモ-1,2,3,4-テトラヒドロイソキノリン-2-カルボニトリル
(1R,3S,4R)-4-ブロモ-1-ヒドロキシ-3-メトキシ-1,2,3,4-テトラヒドロイソキノリン-2-カルボニトリル
(1R,3S,4R)-4-bromo-1-hydroxy-3-methoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonitrile
Other name (1):
(1R)-1β-Hydroxy-3β-methoxy-4α-bromo-1,2,3,4-tetrahydroisoquinoline-2-carbonitrile
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