| SpectraBase Spectrum ID |
Fu3r4VtP8jP |
| Name |
Diltiazem |
| CAS Registry Number |
42399-41-7 |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula |
C22H26N2O4S |
| InChI |
InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 |
| InChIKey |
HSUGRBWQSSZJOP-RTWAWAEBSA-N |
| SMILES |
c12N(C([C@@]([C@@](Sc1cccc2)(c1ccc(cc1)OC)[H])(OC(=O)C)[H])=O)CCN(C)C |
| SPLASH |
splash10-0a4i-9100000000-6a901fbc033993b4c393 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
