| SpectraBase Spectrum ID |
4ayGEW0S5Q |
| Name |
Tolvaptan 2TMS |
| Classification |
Vasopressin receptor
antagonist |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
592.234423955 u |
| Formula |
C32H41N2O3ClSi2 |
| InChI |
InChI=1S/C32H41ClN2O3Si2/c1-22-12-9-10-13-26(22)32(37)35(39(3,4)5)25-16-17-27(23(2)20-25)31(36)34-19-11-14-30(38-40(6,7)8)28-21-24(33)15-18-29(28)34/h9-10,12-13,15-18,20-21,30H,11,14,19H2,1-8H3 |
| InChIKey |
XFCQJTUAIJZMII-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
593.314 g/mol |
| Related CAS Registry Number(s) |
150683-30-0 |
| SMILES |
C1(O[Si](C)(C)C)c2c(ccc(Cl)c2)N(CCC1)C(=O)c1ccc(N(C(c2c(cccc2)C)=O)[Si](C)(C)C)cc1C |
| SPLASH |
splash10-00di-7978010000-9bf5ea7d1e331632e6cd |
| 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_8569 |
