| SpectraBase Spectrum ID |
2d0BWbF0Ua |
| Name |
Amlodipine AC |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
450.155764291 u |
| Formula |
C22H27ClN2O6 |
| InChI |
InChI=1S/C22H27ClN2O6/c1-5-31-22(28)20-17(12-30-11-10-24-14(3)26)25-13(2)18(21(27)29-4)19(20)15-8-6-7-9-16(15)23/h6-9,19,25H,5,10-12H2,1-4H3,(H,24,26) |
| InChIKey |
MRDCCTCXJCVQFK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
450.919 g/mol |
| Nominal Mass |
450 u |
| Quality |
930 |
| Retention Index |
3334 |
| SMILES |
C1(C(=C(NC(=C1C(OC)=O)C)COCCNC(=O)C)C(OCC)=O)C1=C(C=CC=C1)Cl |
| SPLASH |
splash10-000i-2395000000-8f5c01153eb3624b3621 |
| Sample Comments |
Acetyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-ethyl 5-methyl 2-((2-(acetylamino)ethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007708 |
