Responsive image

Common name


Mechlorethamine

IUPAC name


bis(2-chloroethyl)(methyl)amine

SMILES


CN(CCCl)CCCl

Compound class


Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Chemical Warfare Agents; Irritants; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues;

Therapeutic area


For the palliative treatment of Hodgkin's disease (Stages III and IV), lymphosarcoma, chronic myelocytic or chronic lymphocytic leukemia, polycythemia vera, mycosis fungoides, and bronchogenic carcinoma. Also for the palliative treatment of metastatic carcinoma resulting in effusion.

Common name


Mechlorethamine

IUPAC name


bis(2-chloroethyl)(methyl)amine

SMILES


CN(CCCl)CCCl

INCHI


InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3

FORMULA


C5H11Cl2N

Responsive image

Common name


Mechlorethamine

IUPAC name


bis(2-chloroethyl)(methyl)amine

Molecular weight


156.054

clogP


1.509

clogS


-2.440

HBond Acceptor


1

HBond Donor


0

Total Polar
Surface Area


3.24

Number of Rings


0

Rotatable Bond


4

Drug ID Common name Structure CAS SMILE Frequency
FDBF00064 N,N-dimethylmethanamine Responsive image N(C)(C)C 0.0371
FDBF00066 N-methylmethanamine Responsive image N(C)C 0.0914
FDBF00547 chloroethane Responsive image ClCC 0.0076
FDBF00646 2-chloro-N-methyl-ethanamine Responsive image C(NC)CCl 0.0031
FDBF01987 2-chloro-N,N-dimethyl-ethanamine Responsive image CN(C)CCCl 0.0003
5 , 1