Chem
J-GLOBAL ID：201607015417523220
Nikkaji number：J3.480.289K
2,2′-[[(1R,2R)-1,2-Bis[4-(dimethylamino)phenyl]ethylene]bisimino]bis[(2S)-3-methyl-1-butanol]
2,2′-[[(1R,2R)-1,2-ビス[4-(ジメチルアミノ)フェニル]エチレン]ビスイミノ]ビス[(2S)-3-メチル-1-ブタノール]
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： C28H46N4O2
Molecular formula furigana： C28-H46-N4-O2
Molecular weight： 470.702
InChI：
InChI=1S/C28H46N4O2/c1-19(2)25(17-33)29-27(21-9-13-23(14-10-21)31(5)6)28(30-26(18-34)20(3)4)22-11-15-24(16-12-22)32(7)8/h9-16,19-20,25-30,33-34H,17-18H2,1-8H3/t25-,26-,27-,28-/m1/s1
InChI key：
HQZDKIVEXSXSJC-BIYDSLDMSA-N
SMILES：
CC(C)[C@@H](CO)N[C@@H]([C@H](N[C@H](CO)C(C)C)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Systematic name (3)：
- 2,2′-[[(1R,2R)-1,2-ビス[4-(ジメチルアミノ)フェニル]エチレン]ビスイミノ]ビス[(2S)-3-メチル-1-ブタノール]
- (2S)-2-{[(1R,2R)-1,2-ビス[4-(ジメチルアミノ)フェニル]-2-{[(2S)-1-ヒドロキシ-3-メチルブタン-2-イル]アミノ}エチル]アミノ}-3-メチルブタン-1-オール
- (2S)-2-{[(1R,2R)-1,2-bis[4-(dimethylamino)phenyl]-2-{[(2S)-1-hydroxy-3-methylbutan-2-yl]amino}ethyl]amino}-3-methylbutan-1-ol
- 2,2′-[[(1R,2R)-1,2-Bis[4-(dimethylamino)phenyl]ethylene]bisimino]bis[(2S)-3-methyl-1-butanol]
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