Record Information |
---|
Version | 5.0 |
---|
Status | Detected but not Quantified |
---|
Creation Date | 2021-09-11 16:39:49 UTC |
---|
Update Date | 2021-09-26 23:11:52 UTC |
---|
HMDB ID | HMDB0256306 |
---|
Secondary Accession Numbers | None |
---|
Metabolite Identification |
---|
Common Name | Perazine |
---|
Description | Perazine belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. Based on a literature review a small amount of articles have been published on Perazine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Perazine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Perazine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
---|
Structure | CN1CCN(CCCN2C3=CC=CC=C3SC3=CC=CC=C23)CC1 InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3 |
---|
Synonyms | Value | Source |
---|
10-(3-(4-Methyl-1-piperazinyl)propyl)-10H-phenothiazine | ChEBI | N-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazine | ChEBI | N-Methyl-piperazinyl-n'-propyl-phenothiazin | ChEBI | N-Methyl-piperazinylpropyl-phenothiazine | ChEBI | Pernazine | ChEBI | Dihydrochloride, perazine | MeSH | Perazine | MeSH | Perazine dihydrochloride | MeSH | Perazine maleate | MeSH | Taxilan | MeSH | Maleate, perazine | MeSH | Perazine maleate (1:1) | MeSH | Perazine maleate (1:2) | MeSH |
|
---|
Chemical Formula | C20H25N3S |
---|
Average Molecular Weight | 339.5 |
---|
Monoisotopic Molecular Weight | 339.176918991 |
---|
IUPAC Name | 10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine |
---|
Traditional Name | perazine |
---|
CAS Registry Number | Not Available |
---|
SMILES | CN1CCN(CCCN2C3=CC=CC=C3SC3=CC=CC=C23)CC1 |
---|
InChI Identifier | InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3 |
---|
InChI Key | WEYVCQFUGFRXOM-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Benzothiazines |
---|
Sub Class | Phenothiazines |
---|
Direct Parent | Phenothiazines |
---|
Alternative Parents | |
---|
Substituents | - Phenothiazine
- Alkyldiarylamine
- Diarylthioether
- Aryl thioether
- Tertiary aliphatic/aromatic amine
- N-alkylpiperazine
- N-methylpiperazine
- 1,4-diazinane
- Piperazine
- Para-thiazine
- Benzenoid
- Tertiary aliphatic amine
- Tertiary amine
- Azacycle
- Thioether
- Organic nitrogen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Amine
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | Not Available |
---|
Role | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | | Show more...
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized | Show more...
---|
Spectra |
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental GC-MS | GC-MS Spectrum - Perazine EI-B (Non-derivatized) | splash10-01w4-3932000000-826fc2cac2d9f88605f2 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Perazine CI-B (Non-derivatized) | splash10-0002-9310000000-ec3169ce94eacf892f47 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Perazine GC-MS (Non-derivatized) - 70eV, Positive | splash10-03k9-9652000000-433c82907925c95e89c5 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Perazine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perazine 10V, Positive-QTOF | splash10-0006-0119000000-bbb88ab00e7cb568f004 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perazine 20V, Positive-QTOF | splash10-0006-4987000000-18554b2e4bf78420cafa | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perazine 40V, Positive-QTOF | splash10-0pbc-9550000000-35a5f2036581c955678e | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perazine 10V, Negative-QTOF | splash10-000i-0009000000-18c10347027b596afa36 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perazine 20V, Negative-QTOF | splash10-003j-0595000000-3487c29cb26c58343897 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perazine 40V, Negative-QTOF | splash10-0002-3900000000-43389bb29c160e16f51c | 2016-08-03 | Wishart Lab | View Spectrum |
| Show more...
---|
Biological Properties |
---|
Cellular Locations | Not Available |
---|
Biospecimen Locations | |
---|
Tissue Locations | Not Available |
---|
Pathways | |
---|
Normal Concentrations |
---|
| |
Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
|
---|
Abnormal Concentrations |
---|
| Not Available |
---|
Associated Disorders and Diseases |
---|
Disease References | None |
---|
Associated OMIM IDs | None |
---|
External Links |
---|
DrugBank ID | DB12710 |
---|
Phenol Explorer Compound ID | Not Available |
---|
FooDB ID | Not Available |
---|
KNApSAcK ID | C00011258 |
---|
Chemspider ID | 4582 |
---|
KEGG Compound ID | C16903 |
---|
BioCyc ID | Not Available |
---|
BiGG ID | Not Available |
---|
Wikipedia Link | Perazine |
---|
METLIN ID | Not Available |
---|
PubChem Compound | Not Available |
---|
PDB ID | Not Available |
---|
ChEBI ID | 59118 |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
MarkerDB ID | Not Available |
---|
Good Scents ID | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
Material Safety Data Sheet (MSDS) | Not Available |
---|
General References | - Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]
|
---|