Repaglinide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU218951
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU218951 contains the MS2 mass spectrum of Repaglinide with the InChIkey FAEKWTJYAYMJKF-QHCPKHFHSA-N.
Source: Repaglinide
Chemical Info
| InChI | InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1 |
|---|---|
| SMILES | CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3 |
| InChI Key | FAEKWTJYAYMJKF-QHCPKHFHSA-N |
| Molecular Formula | C27H36N2O4 |
| Exact Mass | 452.268 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 1260bb5a-1289-4712-8cfc-10819d64ef04 |
| Package id | msbnk-athens_univ-au218951 |
| Resource type | HTML |
| State | active |