Chem
J-GLOBAL ID：200907069075309155   Nikkaji number：J1.521.925D

Tripitramine

トリピトラミン
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： C64H77N13O6
Molecular formula furigana： C64-H77-N13-O6
Molecular weight： 1124.405
InChI： InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
InChI key： YUJOQEAGGUIMED-UHFFFAOYSA-N
SMILES： CN(CCCCCCCCN(C)CCCCCCN(CC(=O)n1c2ccccc2c(=O)[nH]c2cccnc12)CC(=O)n1c2ccccc2c(=O)[nH]c2cccnc12)CCCCCCNCC(=O)n1c2ccccc2c(=O)[nH]c2cccnc12
Systematic name  (3)：
  • 11,11′-[3-[2-(6-オキソ-5,6-ジヒドロ-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]-10,19-ジメチル-1,28-ジオキソ-3,10,19,26-テトラアザオクタコサン-1,28-ジイル]ビス(5,11-ジヒドロ-6H-ピリド[2,3-b][1,4]ベンゾジアゼピン-6-オン)
  • 10,19-ジメチル-1,28-ビス({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})-3-(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)-3,10,19,26-テトラアザオクタコサン-1,28-ジオン
  • 10,19-dimethyl-1,28-bis({10-oxo-2,4,9-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl})-3-(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)-3,10,19,26-tetraazaoctacosane-1,28-dione
Other name (3)：
  • 11,11′-[3-[2-(6-Oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepine-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis(5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one)
  • トリピトラミン
  • Tripitramine
CAS registry number： 152429-64-6
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