Chem
J-GLOBAL ID：200907026768442842   Nikkaji number：J1.902.553E

Bodipy[558/568]Pirenzepine

N-[6-[4-[2-(5,6-ジヒドロ-6-オキソ-11H-ピリド[2,3-b][1,4]ベンゾジアゼピン-11-イル)-2-オキソエチル]ピペラジノ]ヘキシル]-1-(ジフルオロボリル)-5-[5-(2-チエニル)-2H-ピロール-2-イリデンメチル]-1H-ピロール-2-プロパンアミド
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： C40H43BF2N8O3S
Molecular formula furigana： C40-H43-B-F2-N8-O3-S
Molecular weight： 764.700
InChI： InChI=1S/C40H43BF2N8O3S/c42-41(43)51-30(14-15-31(51)27-29-13-17-33(46-29)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-48-22-24-49(25-23-48)28-38(53)50-35-11-4-3-9-32(35)40(54)47-34-10-7-20-45-39(34)50/h3-4,7-15,17,20,26-27H,1-2,5-6,16,18-19,21-25,28H2,(H,44,52)(H,47,54)
InChI key： QGXCAYBSIKPOHP-UHFFFAOYSA-N
SMILES： FB(F)n1c(CCC(=O)NCCCCCCN2CCN(CC(=O)n3c4ccccc4c(=O)[nH]c4cccnc34)CC2)ccc1C=C1C=CC(=N1)c1cccs1
Systematic name  (3)：
  • N-[6-[4-[2-(5,6-ジヒドロ-6-オキソ-11H-ピリド[2,3-b][1,4]ベンゾジアゼピン-11-イル)-2-オキソエチル]ピペラジノ]ヘキシル]-1-(ジフルオロボリル)-5-[5-(2-チエニル)-2H-ピロール-2-イリデンメチル]-1H-ピロール-2-プロパンアミド
  • 3-[1-(ジフルオロボラニル)-5-{[5-(チオフェン-2-イル)-2H-ピロール-2-イリデン]メチル}-1H-ピロール-2-イル]-N-{6-[4-(2-オキソ-2-{10-オキソ-2,4,9-トリアザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-2-イル}エチル)ピペラジン-1-イル]ヘキシル}プロパンアミド
  • 3-[1-(difluoroboranyl)-5-{[5-(thiophen-2-yl)-2H-pyrrol-2-ylidene]methyl}-1H-pyrrol-2-yl]-N-{6-[4-(2-oxo-2-{10-oxo-2,4,9-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}ethyl)piperazin-1-yl]hexyl}propanamide
Other name (2)：
  • N-[6-[4-[2-(5,6-Dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine-11-yl)-2-oxoethyl]piperazino]hexyl]-1-(difluoroboryl)-5-[5-(2-thienyl)-2H-pyrrole-2-ylidenemethyl]-1H-pyrrole-2-propanamide
  • Bodipy[558/568]Pirenzepine
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