Chem
J-GLOBAL ID：200907005253205409   Nikkaji number：J2.048.793C

(5aS)-2-Chloro-4-[3-(4-chlorophenyl)ureido]-6α-hydroxy-5a,6,11,11aβ-tetrahydro-12H-benzo[b]xanthene-5aβ-carboxylic acid ethyl ester

(5aS)-2-クロロ-4-[3-(4-クロロフェニル)ウレイド]-6α-ヒドロキシ-5a,6,11,11aβ-テトラヒドロ-12H-ベンゾ[b]キサンテン-5aβ-カルボン酸エチル
Substance type：
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
Molecular formula： C27H24Cl2N2O5
Molecular formula furigana： C27-H24-CL2-N2-O5
Molecular weight： 527.400
InChI： InChI=1S/C27H24Cl2N2O5/c1-2-35-25(33)27-17(11-15-5-3-4-6-21(15)24(27)32)12-16-13-19(29)14-22(23(16)36-27)31-26(34)30-20-9-7-18(28)8-10-20/h3-10,13-14,17,24,32H,2,11-12H2,1H3,(H2,30,31,34)/t17-,24-,27+/m1/s1
InChI key： LJOOPCVIOFXNGO-ZVNQEMBASA-N
SMILES： CCOC(=O)[C@]12Oc3c(C[C@H]1Cc1ccccc1[C@H]2O)cc(Cl)cc3NC(=O)Nc1ccc(Cl)cc1
Systematic name  (3)：
  • (5aS)-2-クロロ-4-[3-(4-クロロフェニル)ウレイド]-6α-ヒドロキシ-5a,6,11,11aβ-テトラヒドロ-12H-ベンゾ[b]キサンテン-5aβ-カルボン酸エチル
  • エチル (5aS,6R,11aR)-2-クロロ-4-{[(4-クロロフェニル)カルバモイル]アミノ}-6-ヒドロキシ-6,11,11a,12-テトラヒドロ-5aH-5-オキサテトラセン-5a-カルボキシラート
  • ethyl (5aS,6R,11aR)-2-chloro-4-{[(4-chlorophenyl)carbamoyl]amino}-6-hydroxy-6,11,11a,12-tetrahydro-5aH-5-oxatetracene-5a-carboxylate
Other name (1)：
  • (5aS)-2-Chloro-4-[3-(4-chlorophenyl)ureido]-6α-hydroxy-5a,6,11,11aβ-tetrahydro-12H-benzo[b]xanthene-5aβ-carboxylic acid ethyl ester
Thsaurus map：
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