Chem
J-GLOBAL ID:201807015368663570
Nikkaji number:J3.729.531K
(2S,3R,4S,5S,6S)-6-(4-{4-[ジ(2 H2 )メチルアミノ]ベンゾイル}ピペラジン-1-カルボニル)オキサン-2,3,4,5-テトラオール
(2S,3R,4S,5S,6S)-6-(4-{4-[ジ(2 H2 )メチルアミノ]ベンゾイル}ピペラジン-1-カルボニル)オキサン-2,3,4,5-テトラオール
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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:
C19 H23 [2 H]4 N3 O7
Molecular formula furigana:
C19-H27-N3-O7
Molecular weight:
413.463
InChI:
InChI=1S/C19H27N3O7/c1-20(2)12-5-3-11(4-6-12)17(26)21-7-9-22(10-8-21)18(27)16-14(24)13(23)15(25)19(28)29-16/h3-6,13-16,19,23-25,28H,7-10H2,1-2H3/t13-,14-,15+,16-,19-/m0/s1/i1D2,2D2
InChI key:
BDXDQWASYMFCNH-WDNVKTOFSA-N
SMILES:
N(c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)(C([2H])[2H])C([2H])[2H]
Systematic name (2):
(2S,3R,4S,5S,6S)-6-(4-{4-[ジ(2 H2 )メチルアミノ]ベンゾイル}ピペラジン-1-カルボニル)オキサン-2,3,4,5-テトラオール
(2S,3R,4S,5S,6S)-6-(4-{4-[di(2 H2 )methylamino]benzoyl}piperazine-1-carbonyl)oxane-2,3,4,5-tetrol
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