Chem
J-GLOBAL ID：201707002402764797   Nikkaji number：J3.586.432F

BRD-7929

(8R)-N-(4-メトキシフェニル)-9β-(4-フェニルエチニルフェニル)-10β-[(ジメチルアミノ)メチル]-1,6-ジアザビシクロ[6.2.0]デカン-6-カルボアミド
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： C33H38N4O2
Molecular formula furigana： C33-H38-N4-O2
Molecular weight： 522.693
InChI： InChI=1S/C33H38N4O2/c1-35(2)23-30-32(27-15-13-26(14-16-27)12-11-25-9-5-4-6-10-25)31-24-36(21-7-8-22-37(30)31)33(38)34-28-17-19-29(39-3)20-18-28/h4-6,9-10,13-20,30-32H,7-8,21-24H2,1-3H3,(H,34,38)/t30-,31+,32+/m1/s1
InChI key： VKRCTZCBMKVHCK-RTOKGZNSSA-N
SMILES： COc1ccc(NC(=O)N2CCCCN3[C@H](CN(C)C)[C@@H]([C@@H]3C2)c2ccc(cc2)C#Cc2ccccc2)cc1
Systematic name  (3)：
  • (8R)-N-(4-メトキシフェニル)-9β-(4-フェニルエチニルフェニル)-10β-[(ジメチルアミノ)メチル]-1,6-ジアザビシクロ[6.2.0]デカン-6-カルボアミド
  • (8R,9S,10S)-10-[(ジメチルアミノ)メチル]-N-(4-メトキシフェニル)-9-[4-(2-フェニルエチニル)フェニル]-1,6-ジアザビシクロ[6.2.0]デカン-6-カルボキサミド
  • (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Other name (2)：
  • (8R)-N-(4-Methoxyphenyl)-9β-(4-phenylethynylphenyl)-10β-[(dimethylamino)methyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
  • BRD-7929
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