Chem
J-GLOBAL ID:200907076749713956   Nikkaji number:J12.453B

Brovanexine

ブロバネキシン
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: C24H28Br2N2O4
Molecular formula furigana: C24-H28-BR2-N2-O4
Molecular weight: 568.306
InChI: InChI=1S/C24H28Br2N2O4/c1-15(29)32-21-9-8-17(11-22(21)31-2)24(30)28-23-18(10-19(25)12-20(23)26)14-27-13-16-6-4-3-5-7-16/h8-12,16,27H,3-7,13-14H2,1-2H3,(H,28,30)
InChI key: SPCFEFMADKQHHE-UHFFFAOYSA-N
SMILES: COc1cc(ccc1OC(=O)C)C(=O)Nc1c(Br)cc(Br)cc1CNCC1CCCCC1
Systematic name  (3):
  • 4-アセトキシ-N-[2,4-ジブロモ-6-[(シクロヘキシルメチルアミノ)メチル]フェニル]-3-メトキシベンズアミド
  • 4-[(2,4-ジブロモ-6-{[(シクロヘキシルメチル)アミノ]メチル}フェニル)カルバモイル]-2-メトキシフェニル アセタート
  • 4-[(2,4-dibromo-6-{[(cyclohexylmethyl)amino]methyl}phenyl)carbamoyl]-2-methoxyphenyl acetate
Other name (3):
  • ブロバネキシン
  • Brovanexine
  • 4-Acetoxy-N-[2,4-dibromo-6-[(cyclohexylmethylamino)methyl]phenyl]-3-methoxybenzamide
CAS registry number: 54340-61-3
KEGG DRUG: D07544
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