Chem
J-GLOBAL ID：200907048340704714
Nikkaji number：J258.458A
17β-Estradiol 3-[2-[2-[3-(2-chloroethyl)-3-nitrosoureido]propanoylamino]propionate]
17β-エストラジオール3-[2-[2-[3-(2-クロロエチル)-3-ニトロソウレイド]プロパノイルアミノ]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： C27H37ClN4O6
Molecular formula furigana： C27-H37-CL-N4-O6
Molecular weight： 549.070
InChI：
InChI=1S/C27H37ClN4O6/c1-15(30-26(36)32(31-37)13-12-28)24(34)29-16(2)25(35)38-18-5-7-19-17(14-18)4-6-21-20(19)10-11-27(3)22(21)8-9-23(27)33/h5,7,14-16,20-23,33H,4,6,8-13H2,1-3H3,(H,29,34)(H,30,36)/t15?,16?,20-,21-,22+,23+,27+/m1/s1
InChI key：
OUDWKVZLENCQMD-QXSUYSOUSA-N
SMILES：
CC(NC(=O)N(CCCl)N=O)C(=O)NC(C)C(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1
Systematic name (3)：
- 17β-エストラジオール3-[2-[2-[3-(2-クロロエチル)-3-ニトロソウレイド]プロパノイルアミノ]プロピオナート]
- (1S,3aS,3bR,9bS,11aS)-1-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-7-イル 2-(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}プロパンアミド)プロパノアート
- (1S,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 2-(2-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}propanamido)propanoate
- 17β-Estradiol 3-[2-[2-[3-(2-chloroethyl)-3-nitrosoureido]propanoylamino]propionate]
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