Chem
J-GLOBAL ID:200907026042127093   Nikkaji number:J2.104.828C

N-[4-(Dimethylamino)phenyl]-2-chloro-4-[(5,7-di-tert-butylbenzoxazole-2-yl)amino]-6α-hydroxy-6,11,11aβ,12-tetrahydro-5aH-5-oxanaphthacene-5aβ-carboxamide

N-[4-(ジメチルアミノ)フェニル]-2-クロロ-4-[(5,7-ジ-tert-ブチルベンゾオキサゾール-2-イル)アミノ]-6α-ヒドロキシ-6,11,11aβ,12-テトラヒドロ-5aH-5-オキサナフタセン-5aβ-カルボアミド
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: C41H45ClN4O4
Molecular formula furigana: C41-H45-CL-N4-O4
Molecular weight: 693.290
InChI: InChI=1S/C41H45ClN4O4/c1-39(2,3)25-20-31(40(4,5)6)35-32(21-25)44-38(49-35)45-33-22-27(42)19-24-18-26-17-23-11-9-10-12-30(23)36(47)41(26,50-34(24)33)37(48)43-28-13-15-29(16-14-28)46(7)8/h9-16,19-22,26,36,47H,17-18H2,1-8H3,(H,43,48)(H,44,45)/t26-,36-,41+/m1/s1
InChI key: YIAUMSIMNXBPLR-XTJZPSIZSA-N
SMILES: CN(C)c1ccc(NC(=O)[C@]23Oc4c(C[C@H]2Cc2ccccc2[C@H]3O)cc(Cl)cc4Nc2nc3cc(cc(c3o2)C(C)(C)C)C(C)(C)C)cc1
Systematic name  (3):
  • N-[4-(ジメチルアミノ)フェニル]-2-クロロ-4-[(5,7-ジ-tert-ブチルベンゾオキサゾール-2-イル)アミノ]-6α-ヒドロキシ-6,11,11aβ,12-テトラヒドロ-5aH-5-オキサナフタセン-5aβ-カルボアミド
  • (5aS,6R,11aR)-2-クロロ-4-[(5,7-ジ-tert-ブチル-1,3-ベンゾオキサゾール-2-イル)アミノ]-N-[4-(ジメチルアミノ)フェニル]-6-ヒドロキシ-6,11,11a,12-テトラヒドロ-5aH-5-オキサテトラセン-5a-カルボキサミド
  • (5aS,6R,11aR)-2-chloro-4-[(5,7-di-tert-butyl-1,3-benzoxazol-2-yl)amino]-N-[4-(dimethylamino)phenyl]-6-hydroxy-6,11,11a,12-tetrahydro-5aH-5-oxatetracene-5a-carboxamide
Other name (1):
  • N-[4-(Dimethylamino)phenyl]-2-chloro-4-[(5,7-di-tert-butylbenzoxazole-2-yl)amino]-6α-hydroxy-6,11,11aβ,12-tetrahydro-5aH-5-oxanaphthacene-5aβ-carboxamide
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