Dataset
Nicardipine; LC-ESI-Q; MS; NEG; 30 V
Chemical Information
| InChI | InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3 |
|---|---|
| SMILES | c(c1)(N(=O)=O)cccc1C(C(C(=O)OC)=2)C(C(=O)OCCN(C)Cc(c3)cccc3)=C(NC2C)C |
| InChI Key | ZBBHBTPTTSWHBA-UHFFFAOYSA-N |
| Molecular Formula | C26H29N3O6 |
| Exact Mass | 479.206 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002569 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00622 | drugbank |
| CHEBI:180905 | chebi |
| CHEMBL1484 | chembl |
| 29430153 | surechembl |
| 34277 | surechembl |
| 4474 | pubchem |
| CZ5312222S | fdasrs |
| 2559 | gtopdb |
| PD009884 | probes_and_drugs |
| 10124 | brenda |
| 229725 | brenda |
| 229726 | brenda |
| 69681 | brenda |
| HMDB0014760 | hmdb |
| DTXSID6023363 | comptox |
| NCT00093925 | clinicaltrials |
| NCT00325793 | clinicaltrials |
| NCT00409253 | clinicaltrials |
| NCT00415610 | clinicaltrials |
| NCT00508118 | clinicaltrials |
| NCT00765648 | clinicaltrials |
| NCT00803634 | clinicaltrials |
| NCT01171911 | clinicaltrials |
| NCT01634594 | clinicaltrials |
| NCT01872039 | clinicaltrials |
| NCT01951950 | clinicaltrials |
| NCT01996436 | clinicaltrials |
| NCT01996436 | clinicaltrials |
| NCT02271191 | clinicaltrials |
| NCT02558023 | clinicaltrials |
| NCT03184155 | clinicaltrials |
| NCT04116112 | clinicaltrials |
| NCT04205305 | clinicaltrials |
| NCT04205305 | clinicaltrials |
| NCT04269408 | clinicaltrials |
| NCT04538534 | clinicaltrials |
| NCT05625503 | clinicaltrials |
| NCT06093893 | clinicaltrials |
| Molport-002-484-049 | molport |
| 1909 | drugcentral |
| 50101815 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |