Hydroxyethylpromethazine

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Hydroxyethylpromethazine

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SMILES:CC(CN1C2=CC=CC=C2SC2=CC=CC=C21)[N+](C)(C)CCO

InChI:InChI=1S/C19H25N2OS/c1-15(21(2,3)12-13-22)14-20-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)20/h4-11,15,22H,12-14H2,1-3H3/q+1

InChI key:PDSVTRQOBUIQBQ-UHFFFAOYSA-N

Categorías (no exhaustivas):

Perspectivas avanzadas

En lo siguiente, proporcionamos un análisis más avanzado sobre las interacciones de una molécula con el metabolismo humano, sitios de acoplamiento, etc.

Interacción de esta molécula con el metabolismo

Utilizamos un modelo de Aprendizaje Profundo para predecir las interacciones de esta molécula con el metabolismo. Consulta la fuente para entender la metodología.

Reacciones que metabolizan esta molécula
Dehydrogenation of primary alcohol BTMR0028
Enzimas: 1.1.1.1
Reagents

Metabolite: InChI=1S/C19H23...

Alkyl-OH-glucuronidation BTMR0165
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C25H32...

Sulfation of primary alcohol BTMR0501
Enzimas: 2.8.2.2
Reagents

Metabolite: InChI=1S/C19H24...

N-Dealkylation of mixed tertiary amine BTMR1145
Reagents

Metabolite: InChI=1S/C7H16N...

N-Dealkylation of mixed tertiary amine BTMR1145
Reagents
pubchem

Phenothiazine

S-Oxidation of diarylthioether to sulfoxide BTMR0059
Reagents

Metabolite: InChI=1S/C19H25...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C19H24...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C19H24...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C19H25...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C19H23...

Aliphatic hydroxylation of carbon alpha to secondary or tertiary alkyl-N BTMR1081
Reagents

Metabolite: InChI=1S/C19H25...