PXM
Summary
| Name: | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL |
| Synonyms: | PYRIDOXAMINE |
| Formula: | C8 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 168.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol |
| OpenEye OEToolkits | 1.5.0 | 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-pyridin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc1c(c(cnc1C)CO)CN |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ncc(CO)c(CN)c1O |
| SMILES | CACTVS | 3.341 | Cc1ncc(CO)c(CN)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)CO)CN)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)CO)CN)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 |
| InChIKey | InChI | 1.03 | NHZMQXZHNVQTQA-UHFFFAOYSA-N |
