SQ0
Summary
| Name: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione |
| Formula: | C14 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 300.351 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione |
| OpenEye OEToolkits | 2.0.7 | 3-[2-(2-hydroxyethyloxy)ethylamino]-4-(6-oxidanylhexylamino)cyclobut-3-ene-1,2-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(NCCCCCCO)=C(NCCOCCO)C1=O |
| InChI | InChI | 1.03 | InChI=1S/C14H24N2O5/c17-7-4-2-1-3-5-15-11-12(14(20)13(11)19)16-6-9-21-10-8-18/h15-18H,1-10H2 |
| InChIKey | InChI | 1.03 | RJWRZWAPNJTDAQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCCCCNC1=C(NCCOCCO)C(=O)C1=O |
| SMILES | CACTVS | 3.385 | OCCCCCCNC1=C(NCCOCCO)C(=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO |
