Temozolomide

Molecule SVG Image

Properties Simple | Detailed

Formula C6H6N6O2
IUPAC Name 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Molecular Mass 194.151 g·mol−1
Heat of Formation 52.7 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 202.41 Å 3
Surface Area 200.76 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 1.38 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide
  • 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide
  • 3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide
  • 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide
  • 3-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxamide
  • 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 4-keto-3-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 8-carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3h)-one
  • ccrg 81045
  • d06067
  • imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-
  • m & b 39831
  • mb 39831
  • sch 52365
  • sch-52365
  • temozolamide
  • temozolomide [ban:inn]
  • {imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,} 3, 4-dihydro-3-methyl-4-oxo-
CAS Number(s)
  • 85622-93-1
InChIKey BPEGJWRSRHCHSN-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N