Methylene blue cation
Grundinformationen
- CAS
97592-78-4- Standard-SMILES
CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1- InChIKey
RBTBFTRPCNLSDE-UHFFFAOYSA-N- Summenformel
- C16H18N3S+
- Durchschnittliche Molmasse
- 284,4 g/mol
Überblick
3,7-bis(dimethylamino)phenothiazin-5-ium is an organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'. It is a conjugate acid of a 3,7-bis(dimethylamino)phenothiazine.
Namen und Bezeichner
- Bevorzugter Name
- Methylene blue cation
- IUPAC
- [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium
- Englischer Name
- Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, oxidized, salts with 2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
- Summenformel
- C16H18N3S+
- Molmasse
- 284.39922
Namen und Synonyme
Methylene Blue cationMethylthioninium7060-82-4UNII-ZMZ79891ZHZMZ79891ZHAI3-52463DTXSID3047009Phenothiazin-5-ium, 3,7-bis(dimethylamino)-RefChem:58888DTXCID10270093,7-bis(dimethylamino)phenothiazin-5-ium[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium
Weitere Namen anzeigen
Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, oxidized, salts with 2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methylmethanaminiumCHEMBL405110NSC3089NSC215213NCGC00167496-01NCGC00167496-03methylene-blueMethylthionine HCl
Datenbank-Bezeichner
- CAS
97592-78-4- ChEMBL
CHEMBL191083- ChEBI
CHEBI:43830- UNII
- ZMZ79891ZH
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 43,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 20
- Formalladung
- 1
- Komplexität
- 483
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section164.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0023296]
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
ZMZ79891ZH
METHYLENE BLUE CATION
Established Pharmacologic Class [EPC] - Oxidation-Reduction Agent
Mechanisms of Action [MoA] - Oxidation-Reduction Activity
Methylene blue cation is an Oxidation-Reduction Agent. The mechanism of action of methylene blue cation is as an Oxidation-Reduction Activity.
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