Leucomethylene blue
Grundinformationen
- CAS
613-11-6- Standard-SMILES
CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2- InChIKey
QTWZICCBKBYHDM-UHFFFAOYSA-N- Summenformel
- C16H19N3S
- Durchschnittliche Molmasse
- 285,4 g/mol
- Monoisotopische Masse
- 285,12996861
Überblick
Leucomethylene blue is a member of the class of phenothiazines that is 10H-phenothiazine in which the ring hydrogens at positions 3 and 7 have been replaced by dimethylamino groups. It has a role as a fluorochrome, a mouse metabolite, a bacterial xenobiotic metabolite and a rat metabolite. It is an aromatic amine, a member of phenothiazines and a tertiary amino compound.
Namen und Bezeichner
- Bevorzugter Name
- Leucomethylene blue
- IUPAC
- 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine
- Englischer Name
- LEUCOFORM
- Summenformel
- C16H19N3S
- Molmasse
- 285.41
Namen und Synonyme
Leucomethylene blue613-11-6HydromethylthionineLeukomethylene blueReduced methylene blueMethylene blue, leuco3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diaminehidrometiltioninaIHU4GYZ2R3leuco-methylthioniniumDTXSID2047985CHEBI:134180
Weitere Namen anzeigen
N3,N3,N7,N7-tetramethyl-10H-phenothiazine-3,7-diamineValnivudineMethylene Blue Impurity 11Glycerol phenylbutyrate Impurity 263,7-Bis(dimethylamino)-10H-phenothiazineMethylene Blue Impurity 11 (Leucomethylene blue)
N,N,N',N'-Tetramethyl-10H-phenothiazine-3,7-diamineLMTX compoundhydromethylthioninumMethylene blue leucoRefChem:147090DTXCID7027962Panatoneleucoform
Datenbank-Bezeichner
- CAS
613-11-6- PubChem CID
- 164695
- DTXSID
DTXSID2047985
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 43,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 304
Physikochemische Eigenschaften
- Siedepunkt
- 491.7 · 491.7±45.0 °C(Predicted)
- Dichte
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- storage temp.
- -86 °C · Amber Vial, -86°C Freezer, Under inert atmosphere
- pka
- 6.62 · 6.62±0.20(Predicted)
- Stabilität
- Very unstable to air, keep and handle under inert gas.
Chemie und Industrie
Pharmakologische Informationen
ATC CodeN - Nervous system
Anwendungen
VerwendenLeucomethylene blue is the reduced form of methylene blue, and has been used to determine the efficacy in tau aggregation inhibitor therapy for Alzheimer''s disease.
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