Haha-Chlorambucil

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Properties Simple | Detailed

Formula C26H11Cl2N2O3
IUPAC Name [(1s,3as,3br,10ar,10bs,12as)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1h-indeno[4,5-i][3]benzazepin-1-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Molecular Mass 470.283 g·mol−1
Heat of Formation -706.9 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 722.86 Å 3
Surface Area 582.09 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • 17-hydroxy-3-aza-a-homo-4-androsten-4-one (4-(bis(2-chloroethyl)amino)phenyl)butyrate
  • 3-aza-a-homoandrost-4a-en-4-one, 17-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (17beta)-
  • 3-aza-a-homoandrost-4a-en-4-one, 17-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]-, (17b)-
  • cyclopenta[5,6]naphth[1,2-d]azepine, 3-aza-a-homoandrost-4a-en-4-one deriv.
  • dal 16
CAS Number(s)
  • 99876-94-5
InChIKey KXMXWVJKEUSIIB-ODNAPOIPSA-N
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Elements H C N O Cl