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(+-)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-imidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one

Base Information
  • Chemical Name:(+-)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-imidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
  • CAS No.:149206-69-9
  • Molecular Formula:C16H21 N3 O
  • Molecular Weight:271.3574
  • Hs Code.:
  • DSSTox Substance ID:DTXSID30925459
  • Nikkaji Number:J374.296B
  • ChEMBL ID:CHEMBL66404
  • Mol file:149206-69-9.mol
(+-)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-imidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one

Synonyms:O-TIBO;R 79882;R 79882, (S)-isomer;R-79882;R79882

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Chemical Property of (+-)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-imidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
Chemical Property:
  • Density:1.19g/cm3 
  • XLogP3:2.3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:2
  • Exact Mass:271.168462302
  • Heavy Atom Count:20
  • Complexity:416
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MSDS Files:
Useful:
  • Canonical SMILES:CC1CN2C3=C(CN1CC=C(C)C)C=CC=C3NC2=O
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