Bendamustine

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Properties Simple | Detailed

Formula C16H21Cl2N3O2
IUPAC Name 4-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-1-ium-2-yl]butanoic acid
Molecular Mass 358.263 g·mol−1
Heat of Formation -360.0 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 413.27 Å 3
Surface Area 359.75 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-
  • 1h-benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-
  • 2-benzimidazolebutyric acid, 5-(bis(2-chloroethyl)amino)-1-methyl-
  • 4-[5-[bis(2-chloroethyl)amino]-1-methyl-2-benzimidazolyl]butanoic acid
  • 4-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]butanoic acid
  • 4-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]butyric acid
  • 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
  • 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1h-benzimidazol-2-yl}butanoic acid
  • 5-(bis(2-chloroethyl)amino)-1-methyl-1h-benzimidazole-2-butanoic acid
  • 5-(bis(2-chloroethyl)amino)-1-methyl-2-benzimidazolebutyric acid
  • bendamustina [spanish]
  • bendamustinum [latin]
  • dd6304600
  • omega-(1-methyl-5-bis(beta-chloroethyl)aminobenzimidazole-(2)-butyric acid
  • sdx-105
InChIKey YTKUWDBFDASYHO-UHFFFAOYSA-N
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Elements H C N O Cl