Chem
J-GLOBAL ID：200907061449763083
Nikkaji number：J258.450F
Estrone 2-[3-(2-chloroethyl)-3-nitrosoureido]propionate
エストロン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： C24H30ClN3O5
Molecular formula furigana： C24-H30-CL-N3-O5
Molecular weight： 475.970
InChI：
InChI=1S/C24H30ClN3O5/c1-14(26-23(31)28(27-32)12-11-25)22(30)33-16-4-6-17-15(13-16)3-5-19-18(17)9-10-24(2)20(19)7-8-21(24)29/h4,6,13-14,18-20H,3,5,7-12H2,1-2H3,(H,26,31)/t14?,18-,19-,20+,24+/m1/s1
InChI key：
VMLQWUMZZUAWPN-MGONHSMGSA-N
SMILES：
CC(NC(=O)N(CCCl)N=O)C(=O)Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1
Systematic name (3)：
- エストロン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
- (3aS,3bR,9bS,11aS)-11a-メチル-1-オキソ-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-{[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
- (3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 2-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}propanoate
- Estrone 2-[3-(2-chloroethyl)-3-nitrosoureido]propionate
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