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

Categories (non-exhaustive):

Advanced insights

In the following we provide more advanced analysis about the interactions of a molecule with the human metabolism, docking sites etc.

Interaction of this molecule with metabolism

We use a Deep Learning model to predict the interactions of this molecule with metabolism. Refer to the source to understand the methodology.

Reactions that metabolize this molecule
Dehydrogenation of primary alcohol BTMR0028
Enzymes: 1.1.1.1
Reagents

Metabolite: InChI=1S/C19H23...

Alkyl-OH-glucuronidation BTMR0165
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C25H32...

Sulfation of primary alcohol BTMR0501
Enzymes: 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...