IUPAC name
3-(2-chloroethyl)-1-cyclohexyl-3-nitrosourea
SMILES
ClCCN(N=O)C(=O)NC1CCCCC1
Compound class
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; Nitrosoureas; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of primary and metastatic brain tumors as a component of combination chemotherapy in addition to appropriate surgical and/or radiotherapeutic procedures. Also used in combination with other agents as secondary therapy for the treatment of refractory or relapsed Hodgkin's disease.
Common name
Lomustine
IUPAC name
3-(2-chloroethyl)-1-cyclohexyl-3-nitrosourea
SMILES
ClCCN(N=O)C(=O)NC1CCCCC1
INCHI
InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
FORMULA
C9H16ClN3O2
Common name
Lomustine
IUPAC name
3-(2-chloroethyl)-1-cyclohexyl-3-nitrosourea
Molecular weight
233.695
clogP
1.036
clogS
-2.039
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
61.77
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00119 | methylurea |
|
O=C(NC)N | 0.0065 |
| FDBF00355 | cyclohexane |
|
C1CCCCC1 | 0.0127 |
| FDBF00547 | chloroethane |
|
ClCC | 0.0076 |
| FDBF00549 | 2-chloroethylurea |
|
ClCCNC(=O)N | 0.0007 |
| FDBF02740 | cyclohexylurea |
|
C1(CCCCC1)NC(=O)N | 0.0003 |
| FDBF02741 | 1-cyclohexyl-3-methyl-urea |
|
C1(CCCCC1)NC(=O)NC | 0.0003 |
| FDBF02743 | 1-(2-chloroethyl)-3-cyclohexyl-urea |
|
C1(CCCCC1)NC(=O)NCCCl | 0.0003 |
