uramustine   Click here for help

GtoPdb Ligand ID: 7621

Synonyms: U-8344 | Uracil Mustard®
Approved drug
uramustine is an approved drug
Compound class: Synthetic organic
Comment: Chemically uramustine is a derivative of nitrogen mustard and uracil. It is used clinically as a DNA alkylating anti-cancer chemotherapeutic.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 68.96
Molecular weight 251.02
XLogP 1.56
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES ClCCN(c1c[nH]c(=O)[nH]c1=O)CCCl
Isomeric SMILES ClCCN(c1c[nH]c(=O)[nH]c1=O)CCCl
InChI InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1351 uramustine
Synonyms Click here for help
U-8344 | Uracil Mustard®
Database Links Click here for help
CAS Registry No. 66-75-1
ChEMBL Ligand CHEMBL1488
DrugBank Ligand DB00791
DrugCentral Ligand 2795
GtoPdb PubChem SID 223365956
PubChem CID 6194
Search Google for chemical match using the InChIKey IDPUKCWIGUEADI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IDPUKCWIGUEADI
Search PubMed clinical trials uramustine
Search PubMed titles uramustine
Search PubMed titles/abstracts uramustine
UniChem Compound Search for chemical match using the InChIKey IDPUKCWIGUEADI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IDPUKCWIGUEADI-UHFFFAOYSA-N
Wikipedia Uramustine