Chem
J-GLOBAL ID：200907093541286002   Nikkaji number：J1.886.747H

Erastin

エラスチン
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： C30H31ClN4O4
Molecular formula furigana： C30-H31-CL-N4-O4
Molecular weight： 547.050
InChI： InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3
InChI key： BKQFRNYHFIQEKN-UHFFFAOYSA-N
SMILES： CCOc1ccccc1n1c(nc2ccccc2c1=O)C(C)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1
Systematic name  (3)：
  • 2-[1-[4-[(4-クロロフェノキシ)アセチル]ピペラジノ]エチル]-3-(2-エトキシフェニル)キナゾリン-4(3H)-オン
  • 2-(1-{4-[2-(4-クロロフェノキシ)アセチル]ピペラジン-1-イル}エチル)-3-(2-エトキシフェニル)-3,4-ジヒドロキナゾリン-4-オン
  • 2-(1-{4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl}ethyl)-3-(2-ethoxyphenyl)-3,4-dihydroquinazolin-4-one
Other name (4)：
  • 2-[1-[4-[(4-Chlorophenoxy)acetyl]piperazino]ethyl]-3-(2-ethoxyphenyl)quinazoline-4(3H)-one
  • エラスチン
  • Erastin
  • エラスチン【erastin】
CAS registry number： 571203-78-6
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