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Home> Encyclopedia > Hot Product Listed 6   > 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzo...
882272-97-1 structure

6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis[5,11-dihydro-

Iupac Name:N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine
CAS No.:882272-97-1
Molecular Weight:354.794
Molecular Formula:C8H3CL2KN2O5S (isomer)
Names and Identifiers
Synonyms

11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5h-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]acetyl]-5h-pyrido[2,3-b][1,4]benzodiazepin-6-one 11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5h-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexyl-[2-oxo-2-(6-oxo-5h-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]acetyl]-5h-pyrido[2,3-b][1,4]benzodiazepin-6-one 6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11,11'-(3-(2-(5,6-dihydro-6-oxo-11h-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl)bis(5,11-dihydro- AC1L31VO bdbm82423 cas_132947 CHEMBL265256 D07GPQ DTXSID30165030 gtpl361 L000604 nsc_132947 PDSP1_000934 PDSP2_000920 tripitramine

Inchi
InChI=1S/C18H15ClN4O2/c19-17-16(23(24)25)18(21-13-20-17)22(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChkey
XCSYPIZZXNSJAL-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)Cl)[N+](=O)[O-]
Isomers Smiles
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)Cl)[N+](=O)[O-]
Properties
Density
1.452
Boiling Point
273.4°C at 760 mmHg
Flash Point
352.7°C
Computational chemical data
  • Molecular Weight:354.794g/mol
  • Molecular Formula:C8H3CL2KN2O5S
  • Compound Is Canonicalized:True
  • Exact Mass:354.088
  • Monoisotopic Mass:354.088
  • Complexity:402
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:74.8A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHAIEAAAADArBGiQ18JcYUACh AiZjZwCCgCkxFKAp2CAoVpqIaCLA2VGUJAhogILIiCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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