- 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)