PXM
4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL
| Created: | 2003-11-13 |
| Last modified: | 2020-06-05 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 0 |
| Bond Count | 24 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL |
| Synonyms | PYRIDOXAMINE |
| Systematic Name (OpenEye OEToolkits) | 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-pyridin-3-ol |
| Formula | C8 H12 N2 O2 |
| Molecular Weight | 168.193 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc1c(c(cnc1C)CO)CN |
| SMILES | CACTVS | 3.341 | Cc1ncc(CO)c(CN)c1O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)CO)CN)O |
| Canonical SMILES | CACTVS | 3.341 | Cc1ncc(CO)c(CN)c1O |
| Canonical 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 |
Drug Info: DrugBank
| DrugBank ID | DB11673 |
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| Name | Pyridoxamine |
| Groups | investigational |
| Description | Pyridoxamine has been used in trials studying the treatment of Kidney Stones. |
| Synonyms |
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| Categories |
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| CAS number | 85-87-0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 1052, 11205997 |
| ChEMBL | CHEMBL593019 |
| ChEBI | CHEBI:16410 |
