| SpectraBase Spectrum ID |
6WKrabqkRbh |
| Name |
Tolvaptan -H2O |
| Classification |
Vasopressin receptor
antagonist |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
430.144805687 u |
| Formula |
C26H23N2O2Cl |
| InChI |
InChI=1S/C26H23ClN2O2/c1-17-7-3-4-9-22(17)25(30)28-21-11-12-23(18(2)15-21)26(31)29-14-6-5-8-19-16-20(27)10-13-24(19)29/h3-5,7-13,15-16H,6,14H2,1-2H3,(H,28,30) |
| InChIKey |
JUIZVUYPMQYFHZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
430.935 g/mol |
| Related CAS Registry Number(s) |
150683-30-0 |
| SMILES |
C1=CCCN(c2ccc(cc12)Cl)C(c1c(cc(cc1)NC(c1c(cccc1)C)=O)C)=O |
| SPLASH |
splash10-0uxr-4980100000-492c6ef5b964c5976685 |
| 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_8570 |
