VNB
Summary
| Name: | (2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| Formula: | C8 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 190.24 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H18N2O3/c1-10(2)3-5-7(12)8(13)6(4-11)9-5/h5-9,11-13H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1 |
| InChIKey | InChI | 1.06 | UTJUIABWRUKQDR-XUTVFYLZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CN(C)C[CH]1N[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CC1C(C(C(N1)CO)O)O |
