Chem
J-GLOBAL ID：200907069630952972
Nikkaji number：J258.459J
2-[3-(2-Chloroethyl)-3-nitrosoureido]-N-[3-hydroxy-1,3,5(10)-estratrien-17β-yl]acetamide
2-[3-(2-クロロエチル)-3-ニトロソウレイド]-N-[3-ヒドロキシ-1,3,5(10)-エストラトリエン-17β-イル]アセトアミド
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： C23H31ClN4O4
Molecular formula furigana： C23-H31-CL-N4-O4
Molecular weight： 462.980
InChI：
InChI=1S/C23H31ClN4O4/c1-23-9-8-17-16-5-3-15(29)12-14(16)2-4-18(17)19(23)6-7-20(23)26-21(30)13-25-22(31)28(27-32)11-10-24/h3,5,12,17-20,29H,2,4,6-11,13H2,1H3,(H,25,31)(H,26,30)/t17-,18-,19+,20+,23+/m1/s1
InChI key：
YNSIMDNYRJCCSH-WCZGSDDISA-N
SMILES：
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NC(=O)CNC(=O)N(CCCl)N=O
Systematic name (3)：
- 2-[3-(2-クロロエチル)-3-ニトロソウレイド]-N-[3-ヒドロキシ-1,3,5(10)-エストラトリエン-17β-イル]アセトアミド
- N-[(1S,3aS,3bR,9bS,11aS)-7-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]-2-{[N-(2-クロロエチル)-N'-オキソヒドラジンカルボニル]アミノ}アセトアミド
- N-[(1S,3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}acetamide
- 2-[3-(2-Chloroethyl)-3-nitrosoureido]-N-[3-hydroxy-1,3,5(10)-estratrien-17β-yl]acetamide
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