Molecular Identity
Mechlorethamine
2-chloro-N-(2-chloroethyl)-N-methylethanamine
PubChem CID: 4033
Nitrogen Mustard (Mechlorethamine) can cause cancer and developmental toxicity according to an independent committee of scientific and health experts.
2D Structure
Properties
C5H11Cl2N
Molecular Formula
156.05
Molecular Weight
g/mol
155.0269
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
3.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
43
Complexity
SMILES
Canonical SMILES
SMILES: CN(CCCl)CCClIsomeric SMILES
SMILES: CN(CCCl)CCClSynonyms(20)
mechlorethamineChlormethineNitrogen mustardChlorethazineMustine51-75-2MecloretaminaEmbichin2-Chloro-N-(2-chloroethyl)-N-methylethanamineBis(2-chloroethyl)methylamineDichlor amineMethylbis(2-chloroethyl)amineClormetinaAntimit2,2'-Dichloro-N-methyldiethylamine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mechlorethamine
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