BDC
Summary
| Name: | BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE |
| Synonyms: | BIS-DACA |
| Formula: | C44 H54 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 726.952 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9,9'-(octane-1,8-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide} |
| OpenEye OEToolkits | 1.5.0 | N-(2-dimethylaminoethyl)-9-[8-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]octylamino]acridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCCCCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)cccc6 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCNC(=O)c1cccc2c(NCCCCCCCCNc3c4ccccc4nc5c(cccc35)C(=O)NCCN(C)C)c6ccccc6nc12 |
| SMILES | CACTVS | 3.341 | CN(C)CCNC(=O)c1cccc2c(NCCCCCCCCNc3c4ccccc4nc5c(cccc35)C(=O)NCCN(C)C)c6ccccc6nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C |
| InChI | InChI | 1.03 | InChI=1S/C44H54N8O2/c1-51(2)29-27-47-43(53)35-21-15-19-33-39(31-17-9-11-23-37(31)49-41(33)35)45-25-13-7-5-6-8-14-26-46-40-32-18-10-12-24-38(32)50-42-34(40)20-16-22-36(42)44(54)48-28-30-52(3)4/h9-12,15-24H,5-8,13-14,25-30H2,1-4H3,(H,45,49)(H,46,50)(H,47,53)(H,48,54) |
| InChIKey | InChI | 1.03 | UUXARTGDSXDSRM-UHFFFAOYSA-N |
