| SpectraBase Spectrum ID |
GYeoBA8KvVw |
| Name |
Ketoconazole |
| CAS Registry Number |
65277-42-1 |
| Classification |
Pharmaceutical drug, antimycotic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
530.148760794 u |
| Formula |
C26H28Cl2N4O4 |
| InChI |
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 |
| InChIKey |
XMAYWYJOQHXEEK-OZXSUGGESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
531.440 g/mol |
| Nominal Mass |
530 u |
| Quality |
766 |
| SMILES |
[C@]1(C=2C(=CC(=CC2)Cl)Cl)(O[C@](CO1)(COC1=CC=C(N2CCN(CC2)C(=O)C)C=C1)[H])CN1C=CN=C1 |
| SPLASH |
splash10-05gi-6910400000-64b0f165a70a334baa8c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[4-[4-[[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]- \rpiperazin-1-yl]ethanone |
| Technique |
DI/MS |
| Wiley ID |
DD2024_001797 |
