A2E
Summary
| Name: | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE |
| Synonyms: | (S)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE (S)-TACRINE(10)-HUPYRIDONE |
| Formula: | C32 H44 N4 O |
| Formal charge: | 0 |
| Formula weight: | 500.718 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5S)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | (5S)-5-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCNc3c4CCCCc4nc5ccccc35 |
| SMILES | CACTVS | 3.341 | O=C1NC2=C(C=C1)[CH](CCC2)NCCCCCCCCCCNc3c4CCCCc4nc5ccccc35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@H]4CCCC5=C4C=CC(=O)N5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCNC4CCCC5=C4C=CC(=O)N5 |
| InChI | InChI | 1.03 | InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m0/s1 |
| InChIKey | InChI | 1.03 | ROTFGKJJMRTWBD-MHZLTWQESA-N |
