| SpectraBase Compound ID | 4rbclEWM86r |
|---|---|
| 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 |
| InChIKey | FAEKWTJYAYMJKF-QHCPKHFHSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C27H36N2O4 |
| Exact Mass | 452.267508 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JHxkGQxk5ey |
|---|---|
| Name | Repaglinide |
| CAS Registry Number | 135062-02-1 |
| Classification | Pharmaceutical drug, antidiabetic |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 452.267507643 u |
| Formula | C27H36N2O4 |
| 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 |
| InChIKey | FAEKWTJYAYMJKF-QHCPKHFHSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 452.595 g/mol |
| Nominal Mass | 452 u |
| Quality | 947 |
| SMILES | OC(C=1C(=CC(CC(N[C@](C=2C(N3CCCCC3)=CC=CC2)(CC(C)C)[H])=O)=CC1)OCC)=O |
| SPLASH | splash10-0r71-0930300000-ad6748908a47f03b619c |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | NovoNorm Prandin 2-ethoxy-4-(2-(((1S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid |
| Technique | DI/MS |
| Wiley ID | DD2024_009218 |