CBL
Summary
| Name: | CHLORAMBUCIL |
| Formula: | C14 H19 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 304.212 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl |
| SMILES | CACTVS | 3.341 | OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl |
| InChI | InChI | 1.03 | InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19) |
| InChIKey | InChI | 1.03 | JCKYGMPEJWAADB-UHFFFAOYSA-N |
