Chemical Compound

AC1NX8BE

CAS Registry Number130189-72-9
AC1NX8BE chemical structure
Primary record

AC1NX8BE

CAS
130189-72-9
PubChem CID
5747737
SMILES
CCN(CC(=O)NC1=C/C/2=C(/N=C3/C(=C(\N=C2C=C1)/C4=CC=CC=C4)/C=C(C=C3)NC(=O)CN(CC)CC)\C5=CC=CC=C5)CC
Molecular Formula
C38H42N6O2
Molecular Weight
614.794
Exact Mass
614.3369
InChI
InChI=1S/C38H42N6O2/c1-5-43(6-2)25-35(45)39-29-19-21-33-31(23-29)37(27-15-11-9-12-16-27)42-34-22-20-30(40-36(46)26-44(7-3)8-4)24-32(34)38(41-33)28-17-13-10-14-18-28/h9-24H,5-8,25-26H2,1-4H3,(H,39,45)(H,40,46)/b37-31-,38-32-,41-33+,41-38?,42-34+,42-37?
InChIKey
LAUZCPKQBUPOML-HXOWGZECSA-N
LogP
3.5132
TPSA
89.4

Names and synonyms

  • AC1NX8BE
  • RefChem:1090225
  • CBDivE_014021
  • BRN 4221626
  • DTXSID10926626
  • DTXCID201355436
  • CID2835719
  • CID5747737
  • 130189-72-9
  • 2-(diethylamino)-N-[(6Z,12Z)-2-[[2-(diethylamino)acetyl]amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide
  • 2,8-Di(diethylaminoacetamido)-6,12-diphenyldibenzo(b,f)(1,5)diazocine
  • Acetamide, N,N'-(6,12-diphenyldibenzo(b,f)(1,5)diazocine-2,8-diyl)bis(2-(diethylamino)-
  • 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide
  • N,N'-(6,12-Diphenyldibenzo(b,f)(1,5)diazocine-2,8-diyl)bis(2-(diethylamino)ethanimidic acid)