2BY
Summary
| Name: | phaclofen |
| Synonyms: | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid |
| Formula: | C9 H13 Cl N O3 P |
| Formal charge: | 0 |
| Formula weight: | 249.631 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [(2R)-3-azanyl-2-(4-chlorophenyl)propyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)C(CP(=O)(O)O)CN |
| InChI | InChI | 1.03 | InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | VSGNGLJPOGUDON-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H](C[P](O)(O)=O)c1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | NC[CH](C[P](O)(O)=O)c1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1[C@H](CN)CP(=O)(O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(CN)CP(=O)(O)O)Cl |
