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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KEGG   DRUG: Chlormethine
Entry
D07671                      Drug                                   

Name
Chlormethine (INN);
Mechlorethamine
Formula
C5H11Cl2N
Exact mass
155.0269
Mol weight
156.0535
Structure
Simcomp
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analog
Remark
Same as: C07115
ATC code: L01AA05
Chemical structure group: DG00677
Product (DG00677): D04872<US>
Efficacy
Antineoplastic, Alkylating agent
Comment
nitrogen mustards
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
      D07671  Chlormethine (INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07671
Other DBs
CAS: 51-75-2
PubChem: 51091973
ChEBI: 28925
ChEMBL: CHEMBL427
LigandBox: D07671
NIKKAJI: J2.305A
LinkDB
KCF data

ATOM        8
            1   N1c N    24.1500  -17.5000
            2   C1b C    22.9600  -16.8700
            3   C1b C    25.3400  -16.8700
            4   C1a C    24.1500  -18.9700
            5   C1b C    21.7000  -17.5000
            6   C1b C    26.6000  -17.5000
            7   X   Cl   20.5100  -16.8700
            8   X   Cl   27.7900  -16.8700
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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