Chem
J-GLOBAL ID:201707008728577740   Nikkaji number:J3.547.495A

(9R)-4,5,13-Trimethyl-7-(4-chlorophenyl)-9-[(4-hydroxyphenyl)aminocarbonylmethyl]-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,6]tridecane-2(6),4,7,10,12-pentaene

(9R)-4,5,13-トリメチル-7-(4-クロロフェニル)-9-[(4-ヒドロキシフェニル)アミノカルボニルメチル]-3-チア-1,8,11,12-テトラアザトリシクロ[8.3.0.02,6]トリデカン-2(6),4,7,10,12-ペンタエン
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: C25H22ClN5O2S
Molecular formula furigana: C25-H22-CL-N5-O2-S
Molecular weight: 491.990
InChI: InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m1/s1
InChI key: GNMUEVRJHCWKTO-HXUWFJFHSA-N
SMILES: Cc1sc2c(c1C)C(=N[C@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n21)c1ccc(Cl)cc1
Systematic name  (3):
  • (9R)-4,5,13-トリメチル-7-(4-クロロフェニル)-9-[(4-ヒドロキシフェニル)アミノカルボニルメチル]-3-チア-1,8,11,12-テトラアザトリシクロ[8.3.0.02,6]トリデカン-2(6),4,7,10,12-ペンタエン
  • 2-[(9R)-7-(4-クロロフェニル)-4,5,13-トリメチル-3-チア-1,8,11,12-テトラアザトリシクロ[8.3.0.02,6]トリデカ-2(6),4,7,10,12-ペンタエン-9-イル]-N-(4-ヒドロキシフェニル)アセトアミド
  • 2-[(9R)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamide
Other name (1):
  • (9R)-4,5,13-Trimethyl-7-(4-chlorophenyl)-9-[(4-hydroxyphenyl)aminocarbonylmethyl]-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,6]tridecane-2(6),4,7,10,12-pentaene
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