KEGG   DRUG: Mechlorethamine hydrochlorideHelp
Entry
D04872                      Drug                                   

Name
Mechlorethamine hydrochloride (USP);
Chlormethine hydrochloride;
Mustargen (TN)
Product
Formula
C5H11Cl2N. HCl
Exact mass
191.0035
Mol weight
192.5145
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analog
Remark
ATC code: L01AA05
Chemical structure group: DG00677
Product (DG00677): D04872<US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Mycosis fungoides-type cutaneous T-cell lymphoma [DS:H01463]
Hodgkin's disease [DS:H00007]
Chronic myelocytic or chronic lymphocytic leukemia [DS:H00003 H00005]
Polycythemia vera [DS:H00012]
Mycosis fungoides [DS:H01463]
Comment
Mechlorethamine is called Chlormethine in INN.
Nitrogen mustard
Target
DNA
Interaction
Drug interaction
Structure map
map07040  Antineoplastics - alkylating agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AA Nitrogen mustard analogues
     L01AA05 Chlormethine
      D04872  Mechlorethamine hydrochloride (USP) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Alkylating Agents
   Mechlorethamine
    D04872  Mechlorethamine hydrochloride (USP)
Antineoplastics [br08340.html]
 D04872
BRITE hierarchy
Other DBs
CAS: 55-86-7
PubChem: 47206643
ChEBI: 55368
ChEMBL: CHEMBL1201001
DrugBank: DB00888
LigandBox: D04872
NIKKAJI: J231.254I
LinkDB All DBs
KCF data Show

ATOM        9
            1   N1c N    25.6900  -18.6546
            2   C1b C    24.4792  -17.9562
            3   C1b C    26.9008  -17.9562
            4   C1a C    25.6900  -20.0576
            5   C1b C    23.2626  -18.6546
            6   C1b C    28.1174  -18.6546
            7   X   Cl   22.0517  -17.9562
            8   X   Cl   29.3283  -17.9562
            9   X   Cl   32.4100  -19.3900
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 1

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