mechlorethamine

Ligand id: 7218

Name: mechlorethamine

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View more information in the IUPHAR Pharmacology Education Project: mechlorethamine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 3.24
Molecular weight 155.03
XLogP 1.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1949))
IUPAC Name
bis(2-chloroethyl)(methyl)amine
International Nonproprietary Names
INN number INN
586 chlormethine
Synonyms
Mustargen® | mustine | nitrogen mustard | nitrogen mustard N-oxide hydrochloride
Database Links
CAS Registry No. 51-75-2
ChEMBL Ligand CHEMBL427
DrugBank Ligand DB00888
PubChem CID 4033
Search Google for chemical match using the InChIKey HAWPXGHAZFHHAD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HAWPXGHAZFHHAD
Search PubMed clinical trials chlormethine
Search PubMed titles chlormethine
Search PubMed titles/abstracts chlormethine
Search UniChem for chemical match using the InChIKey HAWPXGHAZFHHAD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HAWPXGHAZFHHAD
Wikipedia Chlormethine
Comments
Mechlorethamine is a nitrogen mustard and is the prototype alkylating anticancer chemotherapeutic. In addition, mechlorethamine is used in the synthesis of the opioid analgesic pethidine.