KEGG   DRUG: Mechlorethamine hydrochloride
Entry
D04872                      Drug                                   

Name
Mechlorethamine hydrochloride (USP);
Chlormethine hydrochloride;
Mustargen (TN);
Valchlor (TN)
Product
Formula
C5H11Cl2N. HCl
Exact mass
191.0035
Mol weight
192.5145
Structure
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]
Comment
Mechlorethamine is called Chlormethine in INN.
Nitrogen mustard
Target
DNA
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)
Other DBs
CAS: 55-86-7
PubChem: 47206643
ChEBI: 55368
ChEMBL: CHEMBL1201001
DrugBank: DB00888
LigandBox: D04872
NIKKAJI: J231.254I
LinkDB
KCF data

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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