Chem
J-GLOBAL ID:200907096068488483   Nikkaji number:J890.550I

PBTA-1

PBTA-1
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: C21H26BrClN6O4
Molecular formula furigana: C21-H26-BR-CL-N6-O4
Molecular weight: 541.830
InChI: InChI=1S/C21H26BrClN6O4/c1-12(30)25-15-10-17(28(5-7-31-2)6-8-32-3)18(33-4)11-16(15)29-26-20-13(22)9-14(24)19(23)21(20)27-29/h9-11H,5-8,24H2,1-4H3,(H,25,30)
InChI key: SIVDBALHJJBGLN-UHFFFAOYSA-N
SMILES: COCCN(CCOC)c1cc(NC(=O)C)c(cc1OC)n1nc2c(Br)cc(N)c(Cl)c2n1
Systematic name  (5):
  • N-[2-(4-クロロ-5-アミノ-7-ブロモ-2H-ベンゾトリアゾール-2-イル)-4-メトキシ-5-[ビス(2-メトキシエチル)アミノ]フェニル]アセトアミド
  • 2-[2-(アセチルアミノ)-4-[ビス(2-メトキシエチル)アミノ]-5-メトキシフェニル]-4-ブロモ-7-クロロ-2H-ベンゾトリアゾール-6-アミン
  • 2-[2-(アセチルアミノ)-4-[ビス(2-メトキシエチル)アミノ]-5-メトキシフェニル]-4-クロロ-7-ブロモ-2H-ベンゾトリアゾール-5-アミン
  • N-[2-(5-アミノ-7-ブロモ-4-クロロ-2H-1,2,3-ベンゾトリアゾール-2-イル)-5-[ビス(2-メトキシエチル)アミノ]-4-メトキシフェニル]アセトアミド
  • N-[2-(5-amino-7-bromo-4-chloro-2H-1,2,3-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]acetamide
Other name (4):
  • PBTA-1
  • N-[2-(4-Chloro-5-amino-7-bromo-2H-benzotriazol-2-yl)-4-methoxy-5-[bis(2-methoxyethyl)amino]phenyl]acetamide
  • 2-[2-(Acetylamino)-4-[bis(2-methoxyethyl)amino]-5-methoxyphenyl]-4-bromo-7-chloro-2H-benzotriazole-6-amine
  • 2-[2-(Acetylamino)-4-[bis(2-methoxyethyl)amino]-5-methoxyphenyl]-4-chloro-7-bromo-2H-benzotriazole-5-amine
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