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Substance Name: Netropsin-oxazolopyridocarbazole
RN: 130861-48-2
InChIKey: NPRODMHNPOUCSV-UHFFFAOYSA-N

Molecular Formula

  • C39-H43-N10-O4.C2-H4-O2.C2-H3-O2

Molecular Weight

  • 836.946
 
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Names and Synonyms

Name of Substance

  • Netropsin-oxazolopyridocarbazole

Synonym

  • Net-opc

Systematic Name

  • 6H-Oxazolo(4,5-g)pyrido(4,3-b)carbazolium, 2-(5-((5-(((5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-5-oxopentyl)-7,10,12-trimethyl-, acetate, monoacetate

Registry Numbers

CAS Registry Number

  • 130861-48-2

System Generated Number

  • 0130861482

Molecular Formulas

Molecular Formula

  • C39-H43-N10-O4.C2-H4-O2.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C2-H4-O2
  • C39-H43-N10-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C39H44N10O4.2C2H4O2/c1-21-26-20-47(3)15-13-25(26)22(2)36-34(21)35-27(45-36)10-11-30-37(35)46-33(53-30)9-7-6-8-32(50)43-23-16-29(49(5)18-23)39(52)44-24-17-28(48(4)19-24)38(51)42-14-12-31(40)41;2*1-2(3)4/h10-11,13,15-20,36,45H,6-9,12,14H2,1-5H3,(H3,40,41)(H,42,51)(H,43,50)(H,44,52);2*1H3,(H,3,4)

InChIKey

NPRODMHNPOUCSV-UHFFFAOYSA-N

Smiles

[NH+]1c2ccc3oc(nc3c2C2=C(C)C3=CN(C=CC3=C(C)[C@@H]12)C)CCCCC(=O)Nc1cn(c(c1)C(=O)Nc1cn(c(c1)C(=O)NCCC(=N)N)C)C.C(C)(=O)[O-].OC(C)=O