9PL
Summary
| Name: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
| Synonyms: | PILOCARPINE |
| Formula: | C11 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 208.257 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
| OpenEye OEToolkits | 1.7.2 | (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2OCC(Cc1n(cnc1)C)C2CC |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | QCHFTSOMWOSFHM-WPRPVWTQSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H]1[C@H](COC1=O)Cc2cncn2C |
| SMILES | CACTVS | 3.370 | CC[CH]1[CH](COC1=O)Cc2cncn2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC[C@H]1[C@H](COC1=O)Cc2cncn2C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCC1C(COC1=O)Cc2cncn2C |
