Lorazepam

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SMILES:OC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2Cl)=NC1O

InChI:InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)

InChI key:DIWRORZWFLOCLC-UHFFFAOYSA-N

Synonymes: Lorazin, Llorens Brand of Lorazepam,Anxiedin,Lorazepam (JP17/USP/INN), Lorazep,Tox21_111669,Laubeel, Lorzem, Temesta (TN), Sedatival,SMR000058410, Duralozam,Loraz, Novo Lorazem,Loridem,LORAZEPAM [EP MONOGRAPH],Wypax,7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one.,Orfidal, Aplacassee,7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one,Lorazepam 1.0 mg/ml in Acetonitrile, Lorat, Lorazepamum [INN-Latin], Lorsedal,Demethyllormetazepam, Bonton, Vigiten, Desitin Brand of Lorazepam,NSC-289758,Lorazepam, United States Pharmacopeia (USP) Reference Standard,Lorazepam Lannacher,BRD-A11990600-001-01-8,Lorazon,NC00420, AHP Brand of Lorazepam,Rocosgen, Ativan (TN), Serra Pamies Brand of Lorazepam,Nervistop L, Lorapam,DEA No. 2885,Novolorazem,Azurogen, Securit, Lorazepam-Efeka, Sedazin, Lorazepam Medix Brand, Lorazepam Genericon,Lorivan,Sidenar, Pro dorm, 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one, Lorazepam Dolorgiet Brand,7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1H-1,4-benzodiazepin-2(3H)-one,Wy-4036,(+/-)-Lorazepam, Kalmalin, Quait,7-chloro-3-hydroxy-5-(2'-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one, Orfidal Wyeth,Lozepam,7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one,Lorazepam solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material, Lorazepam neuraxpharm Brand, Lorazepam neuraxpharm,Ativan, O-Chloroxazepam, Norlormetazepam,CCG-101170,Delormetazepam,Lorazepam for system suitability, European Pharmacopoeia (EP) Reference Standard,Vigiten, Lorazon, Lorazepam Llorens Brand, Lorafen,Emotion,WLN: T67 GMV JN IHJ CG IQ KR BG, Lorazin,BDBM50292627,LORAZEPAM [VANDF], Renaquil,2H-1, 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-, Max Pax, Lopam,DTXSID7023225, Bonatranquan,Equitam,CAS-846-49-1,Lorazene, Lorazepam Medical Brand,Lorabenz, 7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one, Lorazepam Novopharm Brand, Baxter Brand of Lorazepam,Efasedan, Loridem,Lorazepam Genericon,Lorazepan Chobet, Apo Lorazepam,Lorazepam 0.1 mg/ml in Acetonitrile,HMS2052H07, Merlit, Aplacasse,Securit, Loraz, Delormetazepam,LORAZEPAM [MART.], Lorazepam Lannacher,Loram,HMS503A11, Lomesta, Demethyllormetazepam,LORAZEPAM [WHO-DD],Larpose, Nu-Loraz,lorazepam,LORAZEPAM [ORANGE BOOK], Efasedan, 7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one,7-chloro-3-hydroxy-5-(2'-chloro-phenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one, 7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1H-1,4-benzodiazepin-2(3H)-one, Ct Arzneimittel Brand of Lorazepam,Upan, Sedizepan, Laubeel,5-25-02-00248 (Beilstein Handbook Reference),7-Chloro-5-(2-chloro-phenyl)-3-hydroxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one (lorazepam), Lorazepam Baxter Brand, Wyeth Brand of Lorazepam,7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one,LORAZEPAM7-Chloro-5-(2-chloro-phenyl)-3-hydroxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one,Tolid,(RS)-9-chloro-6-(2-chlorophenyl)-4-hydroxy-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one,ativan,Sedatival, Lorazepam-neuraxpharm,(+-)-7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one, L1764_SIGMA, Lorabenz, O-Chlorooxazepam, Somagerol, Stapam,2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-,7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one #, Apotex Brand of Lorazepam, Anzepam,Anzepam, Lorazepan Chobet,Lorazepam preservative free,D00365,Punktyl, Azurogen, Rocosgen, Nu-Pharm Brand of Lorazepam, Temesta,NSC289758,HMS3394H07, Lorsilan, Lorazepam Fabra,Lorazepam civ, Emotion,LORAZEPAM [MI],Lorazep, Durazolam, Lorazepam Riemser Brand, Merck dura Brand of Lorazepam, Lorazepam Apotex Brand, Upan,Lorsedal,Lorazepamum,CHEBI:6539,NSC 289758,2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-, (+-)-, Punktyl,O-Chloroxazepam; O-Chlorooxazepam; Almazine; WY 4036; WY-4036; WY4036,DB00186, Larpose,EINECS 212-687-6, Lorazepam ratiopharm, Lorazepam Wyeth Brand,LORAZEPAM [EP IMPURITY],AKOS015904303, Lorazepam ratiopharm Brand, WY4036,DSSTox_GSID_23225,Stapam,Tavor,Sedazin,(+/-)-7-CHLORO-5-(O-CHLOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-2H-1,4-BENZODIAZEPIN-2-ONE,Lorazepam Fabra,SCHEMBL26961,Lorazepam Intensol,CHEMBL580, ApoLorazepam,Kalmalin,Lorazepan Richet, Trapax, Lorazepamum, Donix,2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-,Max Pax,Emotival, Tranqipam,DSSTox_RID_76932, Lorazepam Desitin Brand, Lorazepam AHP Brand,Nervistopl,Tranqipam, Lorazepam-ratiopharm,Aripax, Lorazene, Ativan, Orfidal,846-49-1,Duralozam, Emotival,Anxira,Merlit,2H-1, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-,Lorenin, Nu Pharm Brand of Lorazepam, Novopharm Brand of Lorazepam,UNII-O26FZP769L,Apo-Lorazepam, Wy-4036, Riemser Brand of Lorazepam,LORAZEPAM CIV [USP-RS], Lorazepam Medical,NCGC00159439-02,LOREEV XR, Lorazepam (Ativan),MLS001424236,Trapax, Equitam,o-Chloroxazepam,LORAZEPAM [USP MONOGRAPH], Lorax,Lorazepam, British Pharmacopoeia (BP) Reference Standard, Lorazepam Intensol, Silence,Temesta,BRN 0759084, Ratiopharm Brand of Lorazepam,L-230, Dolorgiet Brand of Lorazepam, Novhepar,Lorax,Silence,Lorat,846L491, Sidenar, Sedicepan, Tavor,KBio1_000965, Novartis Brand of Lorazepam, Loram, Lorazepam (JP15/USP/INN),A840886,2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-5-(2-CHLOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-, (+/-)-, Novolorazem,Lopam,DivK1c_000965,DTXCID303225,Idalprem,Lorazepam Medical, Neuraxpharm Brand of Lorazepam,Pro dorm, Ct-Arzneimittel Brand of Lorazepam, Lorazepam Novartis Brand,7-Chloro-5-(2-chloro-phenyl)-3-hydroxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one,BCP13713,7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepine-2-one, Lorivan, Sinestron,Bonton, Nervistop L, Anxira,Donix, Tolid,Lorapam,Lorsilan,O26FZP769L,Wy 4036, (+/-)-Lorazepam, Lorenin, Nervistopl, 7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one,Lomesta,Somagerol,Novhepar,o-Chlorooxazepam,IDI1_000965,7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1H-benzo[e][1,4]diazepin-2(3H)-one, Apo-Lorazepam, Lozepam,Aplacasse,DSSTox_CID_3225, Nu Loraz,Lorazepam,Lorazepam [USAN:USP:INN:BAN:JAN],Aplacassee, Medical Brand of Lorazepam,GTPL5884, Wypax,Renaquil,Lorazepamum [INN-Latin], Lorazepam preservative free,Nu Loraz,Q408265,Norlormetazepam,Sinestron, Lorazepam [USAN:INN:BAN:JAN],Sedizepan, Idalprem, Lorazepan Richet, Lorazepam ct-Arzneimittel Brand, Medix Brand of Lorazepam,Ativan (TN),LORAZEPAM [USAN],Lorans, Novo-Lorazem,LORAZEPAM [INN], Wy 4036, Medical, Lorazepam, Wyeth, Orfidal, NuLoraz,7-Chloro-5-(o-chlorophenyl)-1,4-benzodiazepin-2-one,Quait,7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one,(.+/-.)-Lorazepam, Anxiedin,Almazine,7-chloranyl-5-(2-chlorophenyl)-3-oxidanyl-1,3-dihydro-1,4-benzodiazepin-2-one,7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one, Lorazep von ct, (+-)-7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one,Lorazepam-Efeka, Lorans, Aripax, Lorazepam Nu-Pharm Brand,LORAZEPAM [JAN],Lorazepam, European Pharmacopoeia (EP) Reference Standard, Alzapam,Bonatranquan,NINDS_000965,Lorafen,Lorzem

Similarités

Pouvoir identifier des molécules similaires à celle que nous étudions peut permettre d'inférer certaines de ses propriétés. Il existe plusieurs façons de mesurer la similitude entre les molécules, par leur structure, leurs effets, leurs interactions pharmacologiques, etc. Vous pouvez trouver ci-dessous des molécules similaires selon divers critères et des outils que nous avons développés. Pour comprendre les limitations de ces comparaisons, il est crucial de se référer toujours à la méthodologie utilisée pour mesurer ces similitudes.Veuillez noter : Ces informations sont fournies uniquement à des fins informatives et ne doivent pas être interprétées comme des conseils médicaux.

Pour mesurer la similarité structurelle, nous utilisons la méthode Mol2vecmol2vec, qui est un réseau neuronal qui traite les molécules et les transforme en points dans l'espace, de telle sorte que les molécules avec des sous-structures chimiquement apparentées soient transformées en points proches dans l'espace.

Propriétés moléculaires

En utilisant le modèle de KGPT Deep Learning, nous prédisons plusieurs propriétés de la molécule. Les prédictions sont regroupées par l'ensemble de données utilisé pour les obtenir. Avec chaque prédiction, nous fournissons un graphique montrant la distribution des valeurs prédites sur l'ensemble d'entraînement/test/validation. Cela donne une estimation de la fiabilité du modèle.

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)
-0.79
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
-2.58
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
0.09
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

Perspectives avancées

Nous fournissons des analyses plus avancées sur les interactions d'une molécule avec le métabolisme humain, les sites de liaison, etc.

Interaction de cette molécule avec le métabolisme

Nous utilisons un modèle d'apprentissage en profondeur pour prédire les interactions de cette molécule avec le métabolisme. Consultez la source pour comprendre la méthodologie.

Réactions qui métabolisent cette molécule
Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of benzene on carbon ortho to electron donating group BTMR1045
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of aromatic carbon para to halide group BTMR1041
Enzymes: CYP1A2 CYP2E1 CYP3A4
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of benzene on carbon para to electron donating group BTMR1047
Reagents

Metabolite: InChI=1S/C15H10...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C15H10...

Aromatic hydroxylation of fused benzene ring BTMR1032
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C15H10...

Réactions qui produisent du métabolisme à partir de cette molécule
N-Dealkylation of tertiary carboxamide BTMR1139
Hydroxylation of heteroalicyclic secondary carbon BTMR1070