Dataset
Crystal violet
Chemical Info
InChI | InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1 |
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SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C |
InChI Key | LGLFFNDHMLKUMI-UHFFFAOYSA-N |
Molecular Formula | [C25H30N3]+ |
Exact Mass | 372.244 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-Fiocruz-FIO00347 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:37:27.858784 |
MetadataModified | 2024-01-11T16:37:28.048221 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
PD010044 | ProbesDrugs |
3GVJ31T6YY | FDA SRS |
14755472 | PubChem: Thomson Pharma |
14828926 | PubChem: Thomson Pharma |
SCHEMBL94116 | SureChEMBL |
ZINC000013763987 | ZINC |
4138 | DrugCentral |
HMDB0014550 | Human Metabolome Database |
PA449755 | PharmGKB |
30095504 | NMRShiftDB |
MCULE-8035197748 | Mcule |
77181 | ChEBI |
3468 | PubChem |
20053295 | NMRShiftDB |
DB00406 | DrugBank |
CHEMBL459265 | ChEMBL |
CVI | PDBe |
J301.872E | Nikkaji |
CEXNIC | CCDC |
GENTIAN VIOLET | clinicaltrials |
GENAPAX | clinicaltrials |
DTXSID10873000 | EPA CompTox Dashboard |
J1.850C | Nikkaji |
50052802 | BindingDB |
GENTIAN VIOLET CATION | rxnorm |
GENTIAN VIOLET | rxnorm |
METHYLROSANILINIUM CHLORIDE | clinicaltrials |
The data in this table is sourced from UniChem at EBI. |