Chem
J-GLOBAL ID：200907000732463879   Nikkaji number：J1.856.645A

17α-[3-[[Bromo(1-14C)acetyl]amino]propyl]estradiol

17α-[3-[[ブロモ(1-14C)アセチル]アミノ]プロピル]エストラジオール
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： C22[14C]H32BrNO3
Molecular formula furigana： C23-H32-BR-N-O3
Molecular weight： 452.409
InChI： InChI=1S/C23H32BrNO3/c1-22-10-7-18-17-6-4-16(26)13-15(17)3-5-19(18)20(22)8-11-23(22,28)9-2-12-25-21(27)14-24/h4,6,13,18-20,26,28H,2-3,5,7-12,14H2,1H3,(H,25,27)/t18-,19-,20+,22+,23+/m1/s1/i21+2
InChI key： PRIHXVNUNLUUPA-GEDNVNCMSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)CCCN[14C](=O)CBr
Systematic name  (3)：
  • 17α-[3-[[ブロモ(1-14C)アセチル]アミノ]プロピル]エストラジオール
  • N-{3-[(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]プロピル}-2-ブロモ(1-14C)アセトアミド
  • N-{3-[(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]propyl}-2-bromo(1-14C)acetamide
Other name (1)：
  • 17α-[3-[[Bromo(1-14C)acetyl]amino]propyl]estradiol
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