Chem
J-GLOBAL ID：200907020629094122
Nikkaji number：J258.449B
2-[3-(2-Chloroethyl)-3-nitrosoureido]propionic acid 3,17β-dihydroxy-1,3,5(10)-estratrien-6α-yl ester
2-[3-(2-クロロエチル)-3-ニトロソウレイド]プロピオン酸3,17β-ジヒドロキシ-1,3,5(10)-エストラトリエン-6α-イル
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： C24H32ClN3O6
Molecular formula furigana： C24-H32-CL-N3-O6
Molecular weight： 493.990
InChI：
InChI=1S/C24H32ClN3O6/c1-13(26-23(32)28(27-33)10-9-25)22(31)34-20-12-17-16(15-4-3-14(29)11-18(15)20)7-8-24(2)19(17)5-6-21(24)30/h3-4,11,13,16-17,19-21,29-30H,5-10,12H2,1-2H3,(H,26,32)/t13?,16-,17-,19+,20+,21+,24+/m1/s1
InChI key：
OGZBBGXFYBYJFC-GDCJXXKBSA-N
SMILES：
CC(NC(=O)N(CCCl)N=O)C(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc12
Systematic name (3)：
- 2-[3-(2-クロロエチル)-3-ニトロソウレイド]プロピオン酸3,17β-ジヒドロキシ-1,3,5(10)-エストラトリエン-6α-イル
- (1S,3aS,3bR,5S,9bS,11aS)-1,7-ジヒドロキシ-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-5-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,5S,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl 2-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}propanoate
- 2-[3-(2-Chloroethyl)-3-nitrosoureido]propionic acid 3,17β-dihydroxy-1,3,5(10)-estratrien-6α-yl ester
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