| SpectraBase Spectrum ID |
IGFyskkJJA1 |
| Name |
Cyclothiazide 4ME |
| Classification |
Diuretic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
445.089676309 u |
| Formula |
C18H24N3O4ClS2 |
| InChI |
InChI=1S/C18H24ClN3O4S2/c1-20(2)27(23,24)16-10-17-15(9-14(16)19)21(3)18(22(4)28(17,25)26)13-8-11-5-6-12(13)7-11/h5-6,9-13,18H,7-8H2,1-4H3/t11-,12+,13?,18?/m0/s1 |
| InChIKey |
ABGAGSIKXMMQOO-PHYFXLJBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
445.980 g/mol |
| SMILES |
C1([C@@]2(C=C[C@@](C2)(C1)[H])[H])C1N(c2c(cc(S(=O)(N(C)C)=O)c(c2)Cl)S(N1C)(=O)=O)C |
| SPLASH |
splash10-0udi-4549000000-a6dc97f5bd1b9f6d53da |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: UEXME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6850 |
