Chem
J-GLOBAL ID：201307043695486433   Nikkaji number：J3.144.183H

ICG-001

ICG-001
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： C33H32N4O4
Molecular formula furigana： C33-H32-N4-O4
Molecular weight： 548.643
InChI： InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1
InChI key： HQWTUOLCGKIECB-XZWHSSHBSA-N
SMILES： Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc2ccccc2)cc1
Systematic name  (4)：
  • (6S,9aS)-1,3,4,7,8,9,9a-ヘプタヒドロ-6-(4-ヒドロキシベンジル)-8-(ナフタレン-1-イルメチル)-4,7-ジオキソ-N-フェニルメチル-2H-ピラジノ[1,2-a]ピリミジン-1(6H)-カルボキサミド
  • (9aα)-オクタヒドロ-N-ベンジル-6β-(4-ヒドロキシベンジル)-4,7-ジオキソ-8-(1-ナフチルメチル)-2H-ピラジノ[1,2-a]ピリミジン-1-カルボアミド
  • (6S,9aS)-N-ベンジル-6-[(4-ヒドロキシフェニル)メチル]-8-[(ナフタレン-1-イル)メチル]-4,7-ジオキソ-オクタヒドロ-1H-ピラジノ[1,2-a]ピリミジン-1-カルボキサミド
  • (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxo-octahydro-1H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Other name (5)：
  • PRI-724
  • (6S,9aS)-1,3,4,7,8,9,9a-Heptahydro-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxo-N-phenylmethyl-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
  • ICG-001
  • (9aα)-Octahydro-N-benzyl-6β-(4-hydroxybenzyl)-4,7-dioxo-8-(1-naphthylmethyl)-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
  • OP-724
CAS registry number： 847591-62-2
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