GIR
Summary
| Name: | GIRODAZOLE |
| Formula: | C6 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 190.631 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol |
| OpenEye OEToolkits | 1.5.0 | (1S,2S)-3-amino-1-(2-amino-3H-imidazol-4-yl)-2-chloro-propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC(C(O)c1cnc(N)n1)CN |
| SMILES_CANONICAL | CACTVS | 3.341 | NC[C@H](Cl)[C@@H](O)c1[nH]c(N)nc1 |
| SMILES | CACTVS | 3.341 | NC[CH](Cl)[CH](O)c1[nH]c(N)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c([nH]c(n1)N)C(C(CN)Cl)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | YILCGOCHVFQMTC-WVZVXSGGSA-N |
