120003-84-1
| Name | omeprazole acid |
| CAS | 120003-84-1 |
| Molecular Formula | C17H15N3Na2O5S |
| Molecular Weight | 419.363 |
| MOL File | 120003-84-1.mol |
Chemical Properties
| Melting point | >300°C (dec.) |
| storage temp. | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| solubility | Methanol (Slightly), Water (Slightly) |
| form | neat |
| color | White to Off-White |
| Stability: | Hygroscopic, Temperature Sensitive |
| Major Application | forensics and toxicology pharmaceutical (small molecule) |
| InChI | 1S/2C17H17N3O5S.2Na/c2*1-9-14(18-7-11(16(21)22)15(9)25-3)8-26(23)17-19-12-5-4-10(24-2)6-13(12)20-17;;/h2*4-7H,8H2,1-3H3,(H,19,20)(H,21,22);;/q;;2*+1/p-2 |
| InChIKey | TUCNPUIUNPRUHQ-UHFFFAOYSA-L |
| SMILES | [Na+].[Na+].[S](=O)(Cc6ncc(c(c6C)OC)C(=O)[O-])c4[nH]c5c(n4)cc(cc5)OC.[S](=O)(Cc3ncc(c(c3C)OC)C(=O)[O-])c1[nH]c2c(n1)cc(cc2)OC |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |