SpectraBase Spectrum ID |
Bl42KmCXgXc |
Name |
Amlodipine 2ME |
Classification |
Pharmaceutical drug derivative |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
436.176499737 u |
Formula |
C22H29ClN2O5 |
InChI |
InChI=1S/C22H29ClN2O5/c1-6-30-22(27)20-17(13-29-12-11-25(3)4)24-14(2)18(21(26)28-5)19(20)15-9-7-8-10-16(15)23/h7-10,19,24H,6,11-13H2,1-5H3 |
InChIKey |
CKFHQENIUUZTIV-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
436.936 g/mol |
Nominal Mass |
436 u |
Quality |
745 |
Retention Index |
3283 |
SMILES |
C1(C(=C(NC(=C1C(OC)=O)C)COCCN(C)C)C(OCC)=O)C1=C(C=CC=C1)Cl |
SPLASH |
splash10-05i0-9656100000-d0c6a9822b0da48c5bd8 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(dimethylamino)ethoxy)methyl)-6-methyl-1,4-d\rihydropyridine-3,5-dicarboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_006252 |