Chem
J-GLOBAL ID：200907092807935226
Nikkaji number：J258.448D
17β-Estradiol bis[2-[3-(2-chloroethyl)-3-nitrosoureido]propionate]
17β-エストラジオールビス[2-[3-(2-クロロエチル)-3-ニトロソウレイド]プロピオナート]
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： C30H40Cl2N6O8
Molecular formula furigana： C30-H40-CL2-N6-O8
Molecular weight： 683.580
InChI：
InChI=1S/C30H40Cl2N6O8/c1-17(33-28(41)37(35-43)14-12-31)26(39)45-20-5-7-21-19(16-20)4-6-23-22(21)10-11-30(3)24(23)8-9-25(30)46-27(40)18(2)34-29(42)38(36-44)15-13-32/h5,7,16-18,22-25H,4,6,8-15H2,1-3H3,(H,33,41)(H,34,42)/t17?,18?,22-,23-,24+,25+,30+/m1/s1
InChI key：
VSOHVMOKCYHSED-LGROJNNCSA-N
SMILES：
CC(NC(=O)N(CCCl)N=O)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)C(C)NC(=O)N(CCCl)N=O)ccc4[C@H]3CC[C@]12C
Systematic name (3)：
- 17β-エストラジオールビス[2-[3-(2-クロロエチル)-3-ニトロソウレイド]プロピオナート]
- (1S,3aS,3bR,9bS,11aS)-7-[(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}プロパノイル)オキシ]-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}プロパノアート
- (1S,3aS,3bR,9bS,11aS)-7-[(2-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}propanoyl)oxy]-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}propanoate
- 17β-Estradiol bis[2-[3-(2-chloroethyl)-3-nitrosoureido]propionate]
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