Chem
J-GLOBAL ID:201507017340491457
Nikkaji number:J3.437.919J
OTX-015
(6S)-N-(4-ヒドロキシフェニル)-4-(4-クロロフェニル)-2,3,9-トリメチル-6H-チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン-6-アセトアミド
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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:
C25 H22 ClN5 O2 S
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-/m0/s1
InChI key:
GNMUEVRJHCWKTO-FQEVSTJZSA-N
SMILES:
Cc1sc2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n21)c1ccc(Cl)cc1
Systematic name (4):
(6S)-N-(4-ヒドロキシフェニル)-4-(4-クロロフェニル)-2,3,9-トリメチル-6H-チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン-6-アセトアミド
(9S)-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-[(9S)-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-[(9S)-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 (3):
(6S)-N-(4-Hydroxyphenyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide
OTX-015
(9S)-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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