Chem
J-GLOBAL ID：200907013218977620
Nikkaji number：J258.452B
2-[3-(2-Chloroethyl)-3-nitrosoureido]-4-methylthio-N-[3-hydroxy-1,3,5(10)-estratrien-17β-yl]butyramide
2-[3-(2-クロロエチル)-3-ニトロソウレイド]-4-メチルチオ-N-[3-ヒドロキシ-1,3,5(10)-エストラトリエン-17β-イル]ブチルアミド
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： C26H37ClN4O4S
Molecular formula furigana： C26-H37-CL-N4-O4-S
Molecular weight： 537.120
InChI：
InChI=1S/C26H37ClN4O4S/c1-26-11-9-19-18-6-4-17(32)15-16(18)3-5-20(19)21(26)7-8-23(26)29-24(33)22(10-14-36-2)28-25(34)31(30-35)13-12-27/h4,6,15,19-23,32H,3,5,7-14H2,1-2H3,(H,28,34)(H,29,33)/t19-,20-,21+,22?,23+,26+/m1/s1
InChI key：
MZLZKQHNPBGUFG-JBJDKKTLSA-N
SMILES：
CSCCC(NC(=O)N(CCCl)N=O)C(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Systematic name (3)：
- 2-[3-(2-クロロエチル)-3-ニトロソウレイド]-4-メチルチオ-N-[3-ヒドロキシ-1,3,5(10)-エストラトリエン-17β-イル]ブチルアミド
- 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}-4-(メチルスルファニル)ブタンアミド
- 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}-4-(methylsulfanyl)butanamide
- 2-[3-(2-Chloroethyl)-3-nitrosoureido]-4-methylthio-N-[3-hydroxy-1,3,5(10)-estratrien-17β-yl]butyramide
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