Dataset
Mirabegron
Chemical Info
InChI | InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27) |
---|---|
SMILES | C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O |
InChI Key | PBAPPPCECJKMCM-UHFFFAOYSA-N |
Molecular Formula | C21H24N4O2S |
Exact Mass | 396.162 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01100655 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2025-02-09T09:40:40.605514 |
MetadataModified | 2025-02-09T09:40:40.779856 |
MetadataPublished | 2024-06-14 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
18319735 | PubChem |
PD023512 | ProbesDrugs |
36755220 | eMolecules |
928324-05-4 | ACToR |
SCHEMBL805237 | SureChEMBL |
HMDB0254748 | Human Metabolome Database |
J2.830.024G | Nikkaji |
The data in this table is sourced from UniChem at EBI. |