IDE
Summary
| Name: | (5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL |
| Synonyms: | ANILINOMETHYL GLUCO-PHENYLIMIDAZOLE |
| Formula: | C15 H19 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 305.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
| OpenEye OEToolkits | 1.5.0 | (5R,6R,7S,8S)-5-(hydroxymethyl)-2-(phenylazanylmethyl)-5,6,7,8-tetrahydroimidazo[2,1-f]pyridine-6,7,8-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC2c1nc(cn1C(C(O)C2O)CO)CNc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CNc3ccccc3)cn12 |
| SMILES | CACTVS | 3.341 | OC[CH]1[CH](O)[CH](O)[CH](O)c2nc(CNc3ccccc3)cn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NCc2cn3c(n2)C(C(C(C3CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/t11-,12-,13+,14-/m1/s1 |
| InChIKey | InChI | 1.03 | ADKWVGPRAQKVKB-YIYPIFLZSA-N |
