I4E
Summary
| Name: | CARMUSTINE |
| Synonyms: | 1,3-bis(2-chloroethyl)-1-nitroso-urea |
| Formula: | C5 H9 Cl2 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 214.05 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,3-bis(2-chloroethyl)-1-nitroso-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11) |
| InChIKey | InChI | 1.06 | DLGOEMSEDOSKAD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCCNC(=O)N(CCCl)N=O |
| SMILES | CACTVS | 3.385 | ClCCNC(=O)N(CCCl)N=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CCl)NC(=O)N(CCCl)N=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CCl)NC(=O)N(CCCl)N=O |
