Ephedrine

pseudoephedrine

Verificar en tripsit

ephedrine

Verificar en tripsit

Ephedrine

Verificar en psychonaut

Pseudoephedrine

Verificar en psychonaut

Phenylpropanolmethylamine

Verificar en isomerdesign

(1R,2S)-2-(Methylamino)-1-phenylpropan-1-ol

Verificar en isomerdesign

(1S,2S)-2-(Methylamino)-1-phenylpropan-1-ol

Verificar en isomerdesign

Pseudoephedrine

Verificar en pubchem

Ephedrine

Verificar en pubchem

Éphédrine

Verificar en druglab

Ephedrine

Verificar en drugmap

Ephedrine

Verificar en drugmap

Pseudoephedrine

Verificar en wiki

Ephedrine

Verificar en wiki

SMILES:CNC(C)C(O)C1=CC=CC=C1

InChI:InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3

InChI key:KWGRBVOPPLSCSI-UHFFFAOYSA-N

Sinónimos:

Fedrin,Ephoxamin,d-Pseudoephedrine base,SR-01000075166-1,Ephedrol,SBI-0051498.P003,(1S,2S)-2-(Methylamino)-1-phenylpropan-1-ol, D-psi-2-Methylamino-1-phenyl-1-propanol,Balminil Decongestant Syrup,ephedrine-(racemic), Ephedremal,PDSP1_001347,Lopac0_000501, Ephendronal,AKOS016011257,1(-)ephedrine,Spectrum3_001771,BSPBio_003261,(1s, 2s) pseudoephedrine,HSDB 3177,299-42-3,PSEUDOEPHEDRINE [WHO-DD],DTXSID0023537,PSEUDOEPHEDRINE [MART.],Emerphed (ephedrine sulfate injection),(-)-alpha-(1-Methylaminoethyl)benzyl alcohol,CHEMBL1590,PSEUDOEPHEDRINE HYDROCHLORIDE IMPURITY A [EP IMPURITY],Ephedrine, L-(-)-, Pseudoefedrina [INN-Spanish],(I)-Ephedrin, Ephedrine [USAN:BAN], Zephrol, (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol,Ephedrine l-form,A820118,Acunaso (TN),BIDD:GT0817,(+) threo-2-(methylamino)-1-phenyl-1-propanol,(1S,2S)-(+)-Pseudoephedrine,Acunaso,CCG-204592,(1S,2S)-2-(methylamino)-1-phenyl-propan-1-ol, Ephedrine l-form,PDSP2_001327,7CUC9DDI9F, Efidac 24 PseudoephedrineHcl,Ephedrine (USP), Sudafed (TN),CHEBI:51209,EC 202-018-6,Ephedrine (TN), Eciphin,DEA Code 8113,BRD-K84175871-003-02-2,Ephedrin,KBio2_003926, Triaminic Infant Oral Decongestant Drops,I-Sedrin,299E423,(1R,2S)-2-Methylamino-1-phenyl-1-propanol, Alpha-(1-(Methylamino)ethyl)benzyl alcohol,NSC-170951,Ephedrital,AB00375843_06, (1S,2S)-(+)-Pseudoephedrine, L(-)-Ephedrine,Zephrol,NCGC00162174-01,1-Phenyl-1-hydroxy-2-methylaminopropane,Pseudoephedrine, Pseudoephedrine [INN:BAN],DB01364, Nasol, Triaminic AM Decongestant Formula,Efedrin,CS-4802,UNII-7CUC9DDI9F,Isoephedrine,Kratedyn,(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol,C01575,GTPL556,trans-Ephedrine,SPBio_001365,alpha-[1-(Methylamino)ethyl]-benzenemethanol,Biophedrin,EINECS 206-080-5,(1S,2S) pseudoephedrine, (1R,2R)-Ephedrine,Pseudoephedrine (INN),(L)-EPHEDRINE,alpha-Hydroxy-beta-methylaminopropylbenzene,BENZENEMETHANOL, .ALPHA.-(1-(METHYLAMINO)ETHYL)-, (S-(R*,R*))-,(-)-(1R,2S)-Ephedrine,(1S,2S)-2-(Methylamino)-1-phenyl-1-propanol,Neodurasina,l-alpha-(1-Methylaminoethyl)benzyl alcohol,Pseudoephedrinum [INN-Latin], CPDD 0049,Sal-Phedrine,(1S,2S)-(+)-Pseudoephedrine, 98%,L(+)-psi-Ephedrine,1-Sedrin, L-(+)-Ephedrine,PDSP2_001330,Ephedrine [USAN:BAN],Ephedsol, Sudafed Decongestant 12 Hour,Psi-ephedrin,EPHEDRINE [USP MONOGRAPH], Sanedrine,EPHEDRINUM, ANHYDROUS [WHO-IP LATIN], Efedrin,(1R,2S)-(-)-alpha-(1-Methylaminoethyl)benzenemethanol,EPHEDRINE [VANDF],Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alphaS)-,(1R,2S)-(-)-Ephedrine, 98%,NSC170951, Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)-(9CI),IDI1_000451,Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)-,2-Methylamino-1-phenyl-1-propanol, Pseudoephedrine (INN),EPHEDRINE [MART.], L-Ephedrine,Benzenemethanol, .alpha.-[(1S)-1-(methylamino)ethyl]-, (.alpha.R)-,Neodurasina (TN),(1R*,2S*)-2-methylamino-1-phenyl-1-propanol,Pseudoephedrine d-form, Dimetapp Decongestant Pediatric Drops,SBI-0051362.P003,d-psi-Ephedrine,DivK1c_000451,EPHEDRINE HYDROCHLORIDE IMPURITY B [EP IMPURITY], Ephedrital,1-(S),2-(R)-ERYTHRO-(+)-EPHEDRINE,SR-01000075166,1-alpha-(1-Methylaminoethyl)benzyl alcohol,Vencipon,Spectrum2_001303,Sudafed, Mandrin, Pseudoephedrine Ephedrine,AKOS025401512,L-(+)-Pseudoephedrine,(1s, 2s)-(+)-pseudoephedrine,Pseudoephedrinum,(1R,2S)-2-(methylamino)-1-phenyl-1-propanol,CHEBI:15407,(+) pseudoephedrine, (1S,2S)-Pseudoephedrine, polymer-bound,Ephedrine, anhydrous,(+)-psi-Ephedrine,Ephedrinum, anhydrous,(1R,2S)-2-methylamino-1-phenylpropan-1-ol,EPHEDRINE [MI],Pseudoephedrine Ephedrine, Sudafed Decongestant Extra Strength,KBioGR_001763,Nasol,(-)-Ephedrine,SCHEMBL4785,Spectrum_000878,PSEUDOEPHEDRINE [MI],(1R,2S)-(-)-2-(N-methylamino)-1-phenylpropan-1-ol,Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alphaR)-,Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,S*))-,d-Isoephedrine,(1R,2S)-2-(Methylamino)-1-phenylpropan-1-ol,Ephedral,NCGC00178180-01, Ephedsol,(R,S)-2-(Methylamino)-1-phenylpropan-1-ol, (1S,2S)-2-Methylamino-1-phenyl-1-propanol,(1S,2S)-2-methylamino-1-phenylpropan-1-ol, Ephedrine (USP),(.ALPHA.S)-.ALPHA.-((1R)-1-(METHYLAMINO)ETHYL)BENZENEMETHANOL,HSDB 3072,(+)-(1S,2S)-Pseudoephedrine, Ephedral,AI3-02761,(1R,2S)-(-)-2-Methylamino-1-phenyl-1-propanol,ZINC20259,Pseudoefedrina [INN-Spanish],(1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane,(1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol, Pseudoephedrinum [INN-Latin], Ephedrosan,Isoephedrine, d-,Xenadrine, Fedrin,ZINC74836,PSEUDOEPHEDRINE [VANDF],(R-(R*,S*))-.ALPHA.-(1-(METHYLAMINO)ETHYL)BENZENEMETHANOL [WHO-IP], 1-EPHEDRINE,d-Pseudoephedrine,KBio3_002762,KBioSS_001358,J-500280, (+)-(1S,2S)-Pseudoephedrine, Dimetapp Decongestant,GTPL7286,Lopac-E-3250,EC 206-080-5,Manadrin,(-)-Ephedrine hemisulfate,(1S,2S)-2-Methylamino-1-phenylpropan-1-ol, (1S,2R)-Ephedrine,l-2-Methylamino-1-phenylpropanol,1-2-Methylamino-1-phenylpropanol,pseudophedrine sulphate,90-82-4,(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol,psi-Ephedrine, (+)-,l-Ephedrine,Sanedrine,Pseudoephedrine [INN:BAN],C02765,UNII-GN83C131XS,Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-,NCI-C55652,Pseudoefedrina,(S,S)-(+)-Pseudoephedrine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material,(1S,2S)-Ephedrine,alpha-(1-(Methylamino)ethyl)benzenemethanol,HY-B1195, (+)-Ephedrin,Ephedrotal,alpha-Hydroxy-beta-methyl amine propylbenzene, Lexofedrin,PSEUDOEPHEDRINE,Mandrin,2-(Methylamino)-1-phenyl-1-propanol,DTXSID0022985,L(-)-Ephedrine,racephedrine,(1S,2S)-Pseudoephedrine,Ephendronal,PSEUDOEPHEDRINE [INN], Kratedyn,Besan, Ephedrine (TN),EPHEDRINE [WHO-DD],NCI60_002955,064P256,KBio1_000451,Pseudoephedrine, (+)-,PSEUDOEPHEDRINE [HSDB],Ephedrine,EPHEDRINE [HSDB],NSC 170951,DB00852,Pseudoephedrine (D),NCGC00162174-02,NSC 8971,NINDS_000451,KBio2_006494, (L)-EPHEDRINE,Eciphin, Pseudoephedrine d-form,1-Hydroxy-2-methylamino-1-phenylpropane,SCHEMBL4368, Ephedrotal,Pseudoephedrine polistirex, Vencipon,Spectrum5_000650,Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (-)-,BENZENEMETHANOL, .ALPHA.-(1-(METHYLAMINO)ETHYL)-, (R-(R*,S*))-, Manadrin,alpha-(1-(Methylamino)ethyl)benzyl alcohol,Benzenemethanol, .alpha.-[(1S)-1-(methylamino)ethyl]-, (.alpha.S)-, L-(-)-Ephedrine,EPHEDRINE, ANHYDROUS [WHO-IP], (1S,2S)-Pseudoephedrine,NSC-8971, 1-Sedrin, Ephedrol,Ephedrosan,(1R,2S)-2-Methylamino-1-phenylpropan-1-ol,Pseudoephedrine, L-(+)-,Phenylpropanolmethylamine,D08449,EPHEDRINE [EP MONOGRAPH],CHEMBL211456,(+)-Pseudoephedrine,Spectrum4_001162,d-psi-2-Methylamino-1-phenyl-1-propanol,NCGC00015408-01,1-Phenyl-2-methylaminopropanol,Q219626,Q263958, Ephedrin,Lexofedrin,(+)-threo-Ephedrine,l-Erythro-2-(methylamino)-1-phenylpropan-1-ol,KBio2_001358,Norephedrine, N-methyl-,GN83C131XS, Drixoral Nasal Decongestant,Ephedremal,(1r, 2s)-(-)-ephedrine,EINECS 202-018-6, D-Ephedrine, Ephoxamin,D00124, I-Sedrin, Racephedrine,Psi-ephedrine,BENZENEMETHANOL, .ALPHA.-((1S)-1-(METHYLAMINO)ETHYL)-, (.ALPHA.S)-

Categorías (no exhaustivas):

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

Similitudes

Poder identificar moléculas similares a la que estudiamos puede permitir inferir algunas de sus propiedades. Hay varias formas de medir la similitud entre moléculas, por su estructura, efectos, interacciones farmacológicas, etc. A continuación, puedes encontrar moléculas similares según varios criterios y herramientas que desarrollamos. Para comprender las limitaciones de estas comparaciones, es crucial referirse siempre a la metodología utilizada para medir esas similitudes.Ten en cuenta: Esta información se proporciona únicamente con fines informativos y no debe interpretarse como asesoramiento médico.

Tipo de similitud

Para medir la similitud estructural, utilizamos el método de Mol2vec Mol2Vec, que es una red neuronal que procesa moléculas y las transforma en puntos en el espacio, de modo que las moléculas con subestructuras químicamente relacionadas se transforman en puntos cercanos en el espacio.

Estados legales

Para cada país, buscamos referencias y regulaciones relacionadas con esta molécula o con familias de compuestos a las que pertenece.

Descargo de responsabilidad: La información proporcionada en este sitio web sobre las referencias legales de las moléculas es solo con fines informativos y no constituye asesoramiento legal. Aunque nos esforzamos por mantener la información actualizada y precisa, las leyes y regulaciones pueden cambiar con el tiempo. Por lo tanto, no podemos garantizar la integridad, exactitud o aplicabilidad de la información proporcionada. Es importante consultar siempre los textos legales originales y hablar con un profesional legal calificado antes de tomar decisiones basadas en la información proporcionada en este sitio web.

Siempre verifica las fuentes proporcionadas, puede haber errores de clasificación. Nuestro sistema también puede haber omitido ciertas referencias.: Esta molécula se agregó en la legislación: Esta molécula se eliminó de la legislación

País:

Tipo de legislación

Narcotics

2021-05-23

Molécula mencionada como "phénéthylamines et des alpha-méthylphénéthylamines"

Psychotropes

El sistema no ha detectado ninguna mención de esta molecula en France como Psychotropes pero siempre debes verificarlo por ti mismo.

Propiedades de la molécula

Utilizando el modelo de KGPT Aprendizaje Profundo, predecimos varias propiedades de la molécula. Las predicciones se agrupan según el conjunto de datos que se utilizó para obtener esas predicciones. Junto con cada predicción, proporcionamos un gráfico que muestra la distribución de los valores predichos en el conjunto de datos de entrenamiento/prueba/validación. Esto da una estimación de la confiabilidad del modelo.

Description: A dataset focused on predicting the inhibitory effects of molecules on the enzyme beta-secretase 1 (BACE1). BACE1 inhibition is a potential target for Alzheimer's disease treatment.

Class

TrainValTest

2.88-3.70-1.36

Description: A dataset providing insights on the ability of molecules to penetrate the blood-brain barrier. Crucial for understanding the potential of molecules as central nervous system drugs.

p_np

TrainValTest

-2.24-3.290.40

Description: This dataset deals with the FDA approval status and clinical trial toxicity of molecules. Important for understanding the safety and regulatory status of compounds.

CT_TOX

TrainValTest

-0.49-0.78-0.91

FDA_APPROVED

TrainValTest

0.53-1.27-0.50

Description: A dataset that predicts the solubility of molecules in water. Solubility is an essential property influencing bioavailability and the potential formulation of a drug.

logSolubilitylog(mol/L)

1.10

TrainValTest

Description: This dataset is centered on predicting the free energy when a molecule is dissolved in water. The energy changes can affect molecular interactions in biological systems.

freesolvkcal/mol

-2.20

TrainValTest

Description: A dataset predicting the lipophilicity of molecules. Lipophilicity is a crucial factor affecting the distribution, metabolism, and excretion of drugs in the body.

lipoAlogP

-2.26

TrainValTest

Description: This dataset gives insights into the metabolic stability of molecules. High metabolic stability often results in a longer half-life, influencing drug dosage and frequency.

low

TrainValTest

-0.17-3.50-2.88

high

TrainValTest

0.72-3.55-0.49

27 entries

12 entries

617 entries

Afinidades

Afinidades de unión con una lista de 61 sitios de acoplamiento predefinidos. Estas afinidades se utilizan para calcular las similitudes de interacciones.

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

Alkyl-OH-glucuronidation BTMR0165

Enzimas: 2.4.1.17

Reagents

Metabolite: InChI=1S/C16H23...

Sulfation of secondary alcohol BTMR0502

Enzimas: 2.8.2.2

Reagents

Metabolite: InChI=1S/C10H15...

O-Hydroxylation of monosubstituted benzene BTMR1034

Enzimas: CYP1A2 CYP2C8 CYP2C9 CYP2C19 CYP3A4

Reagents

2-[1-Hydroxy-2-(methylamino)propyl]phenol

Oxidation of secondary alcohol to ketone BTMR0079

Enzimas: CYP1A2 CYP2C9 CYP2C19

Reagents

Methcathinone

Hydroxylation of benzene on carbon para to electron donating group BTMR1047

Enzimas: CYP1A2 CYP2C8 CYP2C9 CYP2D6 CYP3A4

Reagents

Oxilofrine

Hydroxylation of terminal methyl BTMR1061

Enzimas: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP2E1 CYP3A4

Reagents

Metabolite: InChI=1S/C10H15...

Terminal desaturation BTMR1190

Enzimas: CYP1A2 CYP2A6 CYP2C9 CYP2D6 CYP3A4

Reagents

InChI=1S/C10H13NO/c1...

N-Dealkylation of acyclic secondary amine BTMR1140

Enzimas: CYP1A2 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP3A4

Reagents

Phenylacetylcarbinol

N-Dealkylation of acyclic secondary amine BTMR1140

Enzimas: CYP1A2 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP3A4

Reagents

Methylamine

[14C]methylamine

N-Dealkylation of acyclic secondary amine BTMR1140

Enzimas: CYP1A2 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP3A4

Reagents

Phenylpropanolamine

Norephedrine

Cathine

(-)-Norephedrine

Norephedrine

(1S)-2-amino-1-phenylpropan-1-ol

Phenylpropanolamine

L-Norpseudoephedrine

Cathine

Phenylpropanolamine

Reacciones que el metabolismo produce a partir de esta molécula

N-Dealkylation of acyclic tertiary amine BTMR1142

Enzimas: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP2E1 CYP3A4

Products

Methylephedrine

N-Methylpseudoephedrine

N-Methylephedrine

N-Dealkylation of acyclic tertiary amine BTMR1142

Enzimas: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP2E1 CYP3A4

Products

Etafedrine

Hydrolysis of carboxylic acid ester BTMR0143

Enzimas: 3.1.1.1

Products

O-Acetylephedrine

O-Acetylpseudoephedrine

3'-Dehydroxylation of substituted benzene BTMR1314

Enzimas: Unspecified bacterial dehydroxylase

Products

m-Hydroxyephedrine

N-Dealkylation of acyclic tertiary amine BTMR1142

Enzimas: CYP1A2 CYP2A6 CYP2B6 CYP2C8 CYP2C9 CYP2C19 CYP2D6 CYP2E1 CYP3A4

Products

Cinnamedrine

4'-Dehydroxylation of substituted benzene BTMR1012

Enzimas: Unspecified bacterial dehydroxylase

Products

Oxilofrine

Reduction of carbonyl BTMR0368

Enzimas: 1.1.1.184

Products

Methcathinone

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

Enzimas: CYP1A2 CYP2C8 CYP2C9 CYP2D6 CYP3A4

Products

Ephedrine

pseudoephedrine

ephedrine

Ephedrine

Pseudoephedrine

Phenylpropanolmethylamine

(1R,2S)-2-(Methylamino)-1-phenylpropan-1-ol

(1S,2S)-2-(Methylamino)-1-phenylpropan-1-ol

Pseudoephedrine

Ephedrine

Éphédrine

Ephedrine

Ephedrine

Pseudoephedrine

Ephedrine

Similitudes

Estados legales

Propiedades de la molécula

Perspectivas avanzadas

Afinidades

Interacción de esta molécula con el metabolismo

Metabolite: InChI=1S/C16H23...

Metabolite: InChI=1S/C10H15...

2-[1-Hydroxy-2-(methylamino)propyl]phenol

Methcathinone

Methcathinone

Methcathinone

Oxilofrine

Oxilofrine

Oxilofrine

Metabolite: InChI=1S/C10H15...

InChI=1S/C10H13NO/c1...

Phenylacetylcarbinol

Methylamine

Methylamine

[14C]methylamine

Phenylpropanolamine

Norephedrine

Cathine

(-)-Norephedrine

Norephedrine

(1S)-2-amino-1-phenylpropan-1-ol

Phenylpropanolamine

Phenylpropanolamine

L-Norpseudoephedrine

Cathine

Phenylpropanolamine

Methylephedrine

N-Methylpseudoephedrine

N-Methylpseudoephedrine

N-Methylephedrine

Etafedrine

Etafedrine

O-Acetylephedrine

O-Acetylpseudoephedrine

m-Hydroxyephedrine

Cinnamedrine

Oxilofrine

Oxilofrine

Oxilofrine

Methcathinone

Methcathinone

Methcathinone

Methamphetamine

methamphetamine

MA

Methamphetamine

Méthamphétamine

Methamphetamine

Methamphetamine

Levomethamphetamine