Chem
J-GLOBAL ID：200907094645982740   Nikkaji number：J763.756J

N-[6-[[[3,17-Dihydroxy-1,3,5(10)-estratrien-17α-yl]acetyl]amino]hexyl]-1,6-dihydro-5,11-dimethyl-2H-pyrido[4,3-b]carbazole-2-carboxamide

N-[6-[[[3,17-ジヒドロキシ-1,3,5(10)-エストラトリエン-17α-イル]アセチル]アミノ]ヘキシル]-1,6-ジヒドロ-5,11-ジメチル-2H-ピリド[4,3-b]カルバゾール-2-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： C44H54N4O4
Molecular formula furigana： C44-H54-N4-O4
Molecular weight： 702.940
InChI： InChI=1S/C44H54N4O4/c1-27-36-26-48(23-18-31(36)28(2)41-40(27)35-10-6-7-11-38(35)47-41)42(51)46-22-9-5-4-8-21-45-39(50)25-44(52)20-17-37-34-14-12-29-24-30(49)13-15-32(29)33(34)16-19-43(37,44)3/h6-7,10-11,13,15,18,23-24,33-34,37,47,49,52H,4-5,8-9,12,14,16-17,19-22,25-26H2,1-3H3,(H,45,50)(H,46,51)/t33-,34-,37+,43+,44-/m1/s1
InChI key： FAHMRLJXLBSGRO-UTKKKGMLSA-N
SMILES： Cc1c2CN(C=Cc2c(C)c2[nH]c3ccccc3c12)C(=O)NCCCCCCNC(=O)C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Systematic name  (3)：
  • N-[6-[[[3,17-ジヒドロキシ-1,3,5(10)-エストラトリエン-17α-イル]アセチル]アミノ]ヘキシル]-1,6-ジヒドロ-5,11-ジメチル-2H-ピリド[4,3-b]カルバゾール-2-カルボアミド
  • 2-[(1R,3aS,3bR,9bS,11aS)-1,7-ジヒドロキシ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-N-[6-({5,11-ジメチル-1H,2H,6H-ピリド[4,3-b]カルバゾール-2-カルボニル}アミノ)ヘキシル]アセトアミド
  • 2-[(1R,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-N-[6-({5,11-dimethyl-1H,2H,6H-pyrido[4,3-b]carbazole-2-carbonyl}amino)hexyl]acetamide
Other name (1)：
  • N-[6-[[[3,17-Dihydroxy-1,3,5(10)-estratrien-17α-yl]acetyl]amino]hexyl]-1,6-dihydro-5,11-dimethyl-2H-pyrido[4,3-b]carbazole-2-carboxamide
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