| Stereochemistry | ACHIRAL |
| Molecular Formula | C5H10ClN3O3 |
| Molecular Weight | 195.604 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCNC(=O)N(CCCl)N=O
InChI
InChIKey=YJZJEQBSODVMTH-UHFFFAOYSA-N
InChI=1S/C5H10ClN3O3/c6-1-3-9(8-12)5(11)7-2-4-10/h10H,1-4H2,(H,7,11)
Elmustine (1-(2-hydroxyethyl)3-(2-chloroethyl)-3-nitrosourea or HECNU) is an alkylating agent with antineoplastic properties. Elmustine is monofunctional and bifunctional alkylating agent that form, in a quantitatively minor reaction, DNA-DNA crosslinks. In vitro, by far the most abundant alkylation products of DNA are those resulting from 2-hydroxyethylation. Elmustine is especially highly active against intracerebrally implanted
tumors. It was in Phase II clinical trials for the treatment of glioma. Elmustine development has been discontinued.
Originator
Approval Year
PubMed
ACTIVE MOIETY
