Bilastine - WHC

Bilastine

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Bilastine

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SMILES:CCOCCN1C2=CC=CC=C2N=C1C1CCN(CCC2=CC=C(C(C)(C)C(=O)O)C=C2)CC1

InChI:InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)

InChI key:ACCMWZWAEFYUGZ-UHFFFAOYSA-N

Categories (non-exhaustive):

Substituted piperazine Substituted phenylmorpholine Substituted cathinone Methylphenidate analogue Aminorex analogue Imidazopyridine DOx Benzimidazole opioid Arylcyclohexylamine Xanthine Tryptamine Tropane Tricyclic Thiobarbiturate Cyclopyrrolone Pyrazolopyrimidine Substituted phenethylamine Lysergamide Diphenylbutylpiperidine Racetam Benzodiazepine Barbiturate Alkyl nitrite 25nb 2c Substituted amphetamine Naphthoylindole Phenylacetylindole Benzoylindole Cyclohexylphenol Check naphthoylpyrrole Naphthylmethylindene Tetramethylcyclopropanoylindoles Adamantoylindoles Indole3carboxylate ester Indazole3carboxamide Morphinan

Legal statuses

For each country, we look for references and regulations related to this molecule, of to families of compounds that this molecule belongs to.

Disclaimer: The information provided on this website regarding the legal references of molecules is for informational purposes only and does not constitute legal advice. While we strive to keep the information up-to-date and accurate, laws and regulations may change over time. Therefore, we cannot guarantee the completeness, accuracy, or applicability of the information provided. It is important to always refer to the original legal texts and consult with a qualified legal professional before making any decisions based on the information provided on this website.

Always double check the sources provided, there can be classification errors. Our system may also have missed certain references. : This molecule was added in the legislation: This molecule was removed from the legislation

Country:

Type of legislation

Narcotics

2021-05-23

Molecule mentionned as "phénéthylamines et des alpha-méthylphénéthylamines"

Psychotropes

The system hasn't detected any mention of this drug in France as a Psychotropes but you should always double check by yourself.

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

Glycine conjugation BTMR1325

Enzymes: 2.3.1.13

Reagents

Metabolite: InChI=1S/C30H40...

O-Glucuronidation of aliphatic acid BTMR0167

Enzymes: 2.4.1.17

Reagents

Metabolite: InChI=1S/C34H45...

Carnitine conjugation BTMR1324

Enzymes: 2.3.1.7

Reagents

Metabolite: InChI=1S/C35H50...

Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring BTMR1077

Enzymes: CYP1A2 CYP2C8 CYP2C9 CYP2D6 CYP3A4

Reagents

Metabolite: InChI=1S/C28H37...

Aromatic hydroxylation of fused benzene ring BTMR1030

Enzymes: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP2E1 CYP3A4

Reagents

Metabolite: InChI=1S/C28H37...

Aromatic hydroxylation of fused benzene ring BTMR1030

Enzymes: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP2E1 CYP3A4

Reagents

Metabolite: InChI=1S/C28H37...

N-Oxidation of alicyclic tertiary amine BTMR1099

Enzymes: CYP1A2 CYP2C8 CYP2C19 CYP2D6 CYP3A4

Reagents

Metabolite: InChI=1S/C28H37...

N-Dealkylation of alicyclic tertiary amine BTMR1144

Enzymes: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP3A4

Reagents

Metabolite: InChI=1S/C16H23...

N-Dealkylation of alicyclic tertiary amine BTMR1144

Enzymes: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP3A4

Reagents

Metabolite: InChI=1S/C12H14...

O-Dealkylation of dialkylether BTMR1129

Enzymes: CYP1A2 CYP2C9 CYP2C19 CYP2D6 CYP3A4

Reagents

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Acetaldehyde

drugmap

Acetaldehyde

O-Dealkylation of dialkylether BTMR1129

Enzymes: CYP1A2 CYP2C9 CYP2C19 CYP2D6 CYP3A4

Reagents

Metabolite: InChI=1S/C26H33...

O-Dealkylation of dialkylether BTMR1129

Enzymes: CYP1A2 CYP2C9 CYP2C19 CYP2D6 CYP3A4

Reagents

psychonaut

Alcohol

tripsit

alcohol

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Ethanol

drugmap

Ethanol

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Alcohol (drug)

O-Dealkylation of dialkylether BTMR1129

Enzymes: CYP1A2 CYP2C9 CYP2C19 CYP2D6 CYP3A4

Reagents

Metabolite: InChI=1S/C26H31...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070

Enzymes: CYP1A2 CYP2A6 CYP2C9 CYP2D6 CYP3A4

Reagents

Metabolite: InChI=1S/C28H37...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071

Enzymes: CYP1A2

Reagents

Metabolite: InChI=1S/C28H37...

Hydroxylation of terminal methyl BTMR1061

Enzymes: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP2E1 CYP3A4

Reagents

Metabolite: InChI=1S/C28H37...

Hydroxylation of terminal methyl BTMR1061

Enzymes: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP2E1 CYP3A4

Reagents

Metabolite: InChI=1S/C28H37...

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

Enzymes: CYP2B6 CYP2C19 CYP2D6

Reagents

Metabolite: InChI=1S/C28H37...

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

Enzymes: CYP2B6 CYP2C19 CYP2D6

Reagents

Metabolite: InChI=1S/C28H37...

Formation of imminium ion from N-substituted piperidine BTMR1187

Enzymes: CYP2C19 CYP3A4

Reagents

Metabolite: InChI=1S/C28H35...

N-Dehydrogenation of aliphatic azaheterocyclene BTMR1191

Enzymes: CYP2D6

Reagents

Metabolite: InChI=1S/C28H35...

Ring opening of N-substituted piperidine BTMR1188

Enzymes: CYP3A4

Reagents

Metabolite: InChI=1S/C28H37...