(2E)-3-[(11R,11As)-9-Hydroxy-11-Methoxy-8-Methyl-5-Oxo-5,10,11,11A-Tetrahydro-1H-Pyrrolo[2,1-C][1,4]Benzodiazepin-2-Yl]Acrylamide

Molecule SVG Image

Properties Simple | Detailed

Formula C17H19N3O4
IUPAC Name (e)-3-[(6r,6as)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
Molecular Mass 329.350 g·mol−1
Heat of Formation -483.5 ± 16.7 kJ·mol−1
Dipole Moment 9.90 ± 1.08 D
Volume 380.82 Å 3
Surface Area 337.78 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[(6r,6as)-4-hydroxy-11-keto-6-methoxy-3-methyl-5,6,6a,7-tetrahydropyrrolo[5,1-c][1,4]benzodiazepin-8-yl]acrylamide
  • (e)-3-[(6r,6as)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[5,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
  • 1h-pyrrolo(2,1-c)(1,4)benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-, (e)-
  • 1h-pyrrolo[2,1-c][1,4]benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-, (e)-
  • 2-propenamide, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1h-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11r-(2(e),11alpha,11abeta))-
  • 2-propenamide, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1h-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)-, [11r-(2(e),11.alpha.,11a.beta.)]-
  • 2-propenamide, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1h-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)-, [11r-[2(e),11.alpha.,11a.beta.]]-
  • 2-propenamide, 3-[(11r,11as)-5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1h-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-, (2e)-
  • 3-[(6r,6as)-4-hydroxy-11-keto-6-methoxy-3-methyl-5,6,6a,7-tetrahydropyrrolo[5,1-c][1,4]benzodiazepin-8-yl]acrylamide
  • 3-[(6r,6as)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[5,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
  • 5h-pyrrolo[2,1-c][1,4]benzodiazepine-2-acrylamide, 1,10,11.beta.,11a.beta.-tetrahydro-9-hydroxy-11-methoxy-5-oxo-, monohydrate
  • anthramycin 11-methyl ether
  • anthramycin methyl ether
  • anthramycin, methyl ether
  • anthramycin, methyl ether, hydrate
  • antibiotic a
  • b 89006
  • roche 5-9000
CAS Number(s)
  • 5544-25-2
InChIKey YRMCBQLZVBXOSJ-PCFSSPOYSA-N
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