Chem
J-GLOBAL ID:200907061690961619
Nikkaji number:J1.899.485B
(1R)-1β,3α-Dimethyl-4β-(phenylthio)-1,2,3,4-tetrahydroisoquinoline-2-carbaldehyde
(1R)-1β,3α-ジメチル-4β-(フェニルチオ)-1,2,3,4-テトラヒドロイソキノリン-2-カルボアルデヒド
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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 H19 NOS
Molecular formula furigana:
C18-H19-N-O-S
Molecular weight:
297.420
InChI:
InChI=1S/C18H19NOS/c1-13-16-10-6-7-11-17(16)18(14(2)19(13)12-20)21-15-8-4-3-5-9-15/h3-14,18H,1-2H3/t13-,14-,18-/m1/s1
InChI key:
SWWRHRQAWUASCI-HBUWYVDXSA-N
SMILES:
C[C@@H]1[C@@H](Sc2ccccc2)c2ccccc2[C@@H](C)N1C=O
Systematic name (3):
(1R)-1β,3α-ジメチル-4β-(フェニルチオ)-1,2,3,4-テトラヒドロイソキノリン-2-カルボアルデヒド
(1R,3R,4S)-1,3-ジメチル-4-(フェニルスルファニル)-1,2,3,4-テトラヒドロイソキノリン-2-カルバルデヒド
(1R,3R,4S)-1,3-dimethyl-4-(phenylsulfanyl)-1,2,3,4-tetrahydroisoquinoline-2-carbaldehyde
Other name (1):
(1R)-1β,3α-Dimethyl-4β-(phenylthio)-1,2,3,4-tetrahydroisoquinoline-2-carbaldehyde
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