• Molecular NameMechlorethamine
  • SynonymChlorethazine; Chlormethine; HN2; MBA; Mechloroethamine; Mecloretamina; Mustine; Nitrogen mustard
  • Weight156.056
  • Drugbank_IDDB00888
  • ACS_NO51-75-2
  • Show 3D model
  • LogP (experiment)0.91
  • LogP (predicted, AB/LogP v2.0)1.2
  • pka6.76
  • LogD (pH=7, predicted)1.06
  • Solubility (experiment)Insoluble
  • LogS (predicted, ACD/Labs)(ph=7)-0.57
  • LogSw (predicted, AB/LogsW2.0)12.23
  • Sw (mg/ml) (predicted, ACD/Labs)33.64
  • No.of HBond Donors0
  • No.of HBond Acceptors1
  • No.of Rotatable Bonds4
  • TPSA3.24
  • StatusFDA approved
  • AdministrationIV, intracavitary, intrapericardially, topical
  • PharmacologyThe prototype of alkylating agents, a group of anticancer chemotherapeutic drug.
  • Absorption_valueN/A
  • Absorption (description)Partially absorbed following intracavitary administration, most likely due to rapid deactivation by body fluids.
  • Caco_2N/A
  • BioavailabilityN/A
  • Protein bindingN/A
  • Volume of distribution (VD)N/A
  • Blood/Plasma Partitioning ratio (D_blood)N/A
  • MetabollsmRapid hydrolysis and demethylation, possibly in plasma
  • Half life< 1 min
  • ExcretionUrine (50% as metabolites, <0.01% as unchanged drug)
  • Urinary ExcretionN/A
  • CleranceN/A
  • ToxicitySymptoms of overexposure include severe leukopenia, anemia, thrombocytopenia, and a hemorrhagic diathesis with subsequent delayed bleeding may develop.
  • LD50 (rat)LD50=2 mg/kg (intravenous)
  • LD50 (mouse)LD50=2 mg/kg (intravenous)