| SpectraBase Spectrum ID |
HtISdlFCUSX |
| Name |
Tolvaptan AC |
| Classification |
Vasopressin receptor
antagonist |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
490.165935053 u |
| Formula |
C28H27N2O4Cl |
| InChI |
InChI=1S/C28H27ClN2O4/c1-17-7-4-5-8-22(17)27(33)30-21-11-12-23(18(2)15-21)28(34)31-14-6-9-26(35-19(3)32)24-16-20(29)10-13-25(24)31/h4-5,7-8,10-13,15-16,26H,6,9,14H2,1-3H3,(H,30,33) |
| InChIKey |
SCVQBAKLAQXXDO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
490.987 g/mol |
| Related CAS Registry Number(s) |
150683-30-0 |
| SMILES |
C1(OC(=O)C)c2c(ccc(c2)Cl)N(CCC1)C(c1c(cc(cc1)NC(c1c(cccc1)C)=O)C)=O |
| SPLASH |
splash10-0uxr-3970000000-74511cc90fb0ea6da14e |
| 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. |
| 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_8568 |
