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Diazepam

PubChem CID: 3016

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Compound Synonyms diazepam, 439-14-5, Valium, Ansiolisina, Diazemuls, Alboral, Apaurin, Faustan, Relanium, Seduxen, Sibazon, Stesolid, Methyldiazepinone, Ansiolin, Apozepam, Atensine, Bensedin, Bialzepam, Calmocitene, Calmpose, Ceregulart, Condition, Diacepan, Diazepan, Diazetard, Dipezona, Domalium, Kiatrium, Liberetas, Neurolytril, Paranten, Quetinil, Quiatril, Quievita, Relaminal, Renborin, Ruhsitus, Seduksen, Serenack, Serenamin, Serenzin, Stesolin, Tensopam, Tranimul, Tranqdyn, Tranquirit, Unisedil, Valitran, Valrelease, Aliseum, Amiprol, Armonil, Assival, Atilen, Cercine, Dialag, Diapam, Diastat, Dienpax, Duksen, Eridan, Eurosan, Freudal, Frustan, Gihitan, Lembrol, Levium, Morosan, Paxate, Plidan, Saromet, Sedipam, Setonil, Sonacon, Umbrium, Vatran, Velium, Duxen, Lamra, Paxel, Solis, Valeo, Vival, Vivol, Zipan, Noan, Usempax ap, Methyl diazepinone, Centrazepam, Gewacalm, Q-pam, Tranquase, Valaxona, Valiquid, Dialar, Evacalm, Horizon, Novazam, Paceum, Dizac, La-Iii, Relax, LA III, An-Ding, e-Pam, Kabivitrum, Servizepam, Antenex, Arzepam, Drenian, Jinpanfan, Kratium, Nellium, Nerozen, Zepaxid, Diapax, Dipam, Doval, Ducene, Paxum, Sipam, Vazen, Apo-diazepam, Diazepam Intensol, Placidox 5, Ansilive, Anxicalm, Anxionil, Benzopin, Britazepam, Calmaven, Calmociteno, Chuansuan, Desconet, Desloneg, Diaceplex, Diazepin, Mentalium, Metamidol, Nixtensyn, Novodipam, Ortopsique, Paralium, Prozepam, Psychopax, Radizepam, Simasedan, Trankinon, Trazepam, Valuzepam, Vanconin, Alupram, Baogin, Betapam, Calmod, Caudel, Diapine, Diaquel, Diatran, Diazem, Disopam, Faustal, Gradual, Iazepam, Lovium, Mandro, Medipam, Nervium, Nivalen, Notense, Parzam, Reliver, Sedapam, Dipaz, Dupin, Gubex, Lizan, Pomin, Winii, Ro 5-2807, Diazepam Nordic, Diazepam-Lipuro, Diazepan leo, Diazepam Elmu, Diazepam Fabra, Diazepam Stada, Metil Gobanal, WY-3467, Diazepam Dak, Tranquo-tablinen, Diazepam Desitin, Euphorin P, Mandro-Zep, Sico Relax, Diazepam Rectubes, NSC-77518, 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, Elcion CR, Placidox 2, Kratium 2, Diazepam-ratiopharm, Placidox 10, D-Pam, Diazepam-Eurogenerics, Diacepin, Diazepamu, Diazepamum, Plumiaz, 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one, Diastat Acudial, Diazepam civ, 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one, CCRIS 6009, Diazepamum [INN-Latin], HSDB 3057, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-, Faustan,, Methyldiazepinone (pharmaceutical), UNII-Q3JTX2Q7TU, Q3JTX2Q7TU, EINECS 207-122-5, NRL-1, LA-111, 7-Chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine, 7-Chloro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, NSC 169897, NSC-169897, BRN 0754371, LIBERVANT, VALTOCO, Best [Pharaceutical], DTXSID4020406, CHEBI:49575, RO-5-2807, 1-Methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one, Wy 3467, CHEMBL12, LA 111, Ro-52807, S.a. r.l., DTXCID20406, DZP, Methyldiazepinone, pharmaceutical, 5-24-04-00300 (Beilstein Handbook Reference), NSC77518, NSC169897, Diazepam [USAN:USP:INN:BAN:JAN], Best (Pharaceutical), 7-Chloro-1-methyl-5-3H-1,4-benzodiazepin-2(1H)-one, Pax, NCGC00178168-02, DIAZEPAM (IARC), DIAZEPAM [IARC], Diazepamum (INN-Latin), DIAZEPAM (MART.), DIAZEPAM [MART.], Diazepamu [Polish], DIAZEPAM CIV (USP-RS), DIAZEPAM CIV [USP-RS], DIAZEPAM (EP MONOGRAPH), DIAZEPAM [EP MONOGRAPH], Diazepam (1mg/mL in Methanol), DIAZEPAM (USP MONOGRAPH), DIAZEPAM [USP MONOGRAPH], Mandrozep, Sibazone, Tensium, Tranquo-puren, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2h-1,4-benzodiazepine-2-one, 7-chloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one, 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one, Diazepam (USAN:USP:INN:BAN:JAN), WLN: T67 GNV JN IHJ CG G1 KR, CAS-439-14-5, SMR000058398, 2H-1, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-, 1-Methyl-5-phenyl-7-chloro-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one, Anlin, Diazepam Oral, DEA No. 2765, Pro pam, Diastat (TN), Valium (TN), DIAZEPAM [HSDB], DIAZEPAM [USAN], DIAZEPAM [INN], DIAZEPAM [JAN], DIAZEPAM [MI], DIAZEPAM [VANDF], Spectrum3_001780, Spectrum4_000576, Spectrum5_001890, DIAZEPAM [WHO-DD], BIDD:PXR0158, Oprea1_126223, SCHEMBL21442, BSPBio_003279, KBioGR_001012, MLS000759402, MLS001424086, BIDD:GT0105, DIAZEPAM [GREEN BOOK], DivK1c_000967, Diazepam (JP17/USP/INN), Diazepam, 1mg/ml in Methanol, DIAZEPAM [ORANGE BOOK], GTPL3364, S.A.R.L., HMS503A15, KBio1_000967, KBio3_002780, Diazepam 0.1 mg/ml in Methanol, Diazepam 1.0 mg/ml in Methanol, CHEBI:194180, NINDS_000967, HMS2051N04, HMS3393N04, BCP23002, ORG 2447, Tox21_113071, Tox21_202458, 7-Chloro-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one, BDBM50000766, Diazepam Oral Solution (Concentrate), STK735517, AKOS003367969, Diazepam 1000 microg/mL in Methanol, Tox21_113071_1, AB02310, BCP9000199, BNZ - Human Serum, Benzodiazepine mix, CCG-100997, CS-0653, DB00829, NC00247, Ro 5-2805, IDI1_000967, NCGC00178168-01, NCGC00178168-03, NCGC00178168-04, NCGC00260007-01, AC-10561, HY-17027, BCP0726000176, DB-051179, NS00008403, NS00114260, C06948, D-1450, D00293, A826456, Q210402, Valium, Ansiolisina, Diazemuls, Apaurin, Faustan, BRD-K16508793-001-01-8, BRD-K16508793-001-05-9, Diazepam, European Pharmacopoeia (EP) Reference Standard, 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, 7-CHLORO-1-METHYL-5-3H-1,4-BENZIODIAZEPIN-2(1H)-ONE, 7-chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepine-2(3H)on, Diazepam, United States Pharmacopeia (USP) Reference Standard, 7-chloro-1-methyl-5-phenyl-1,3-dihydro-[1,4]benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on, 7 -chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H -1,4-benzodiazepin-2-one, 7-chloro-1-methyl-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-2-oxo-2,3-dihydro-1H-benzo[f]-1,4-diazepine, 7-chloro-1,3-dihydro-1-(methyl-d3)-5-(phenyl-d5)-2H-1,4-benzodiazepin-2-one, 7-chloro-1-((2)H3)methyl-5-((2)H5)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one, Diazepam for system suitability, European Pharmacopoeia (EP) Reference Standard, 11100-37-1, 207-122-5, 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, 1-Methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one, Alboral, 7-chloro-5-(2,3,4,5,6-pentadeuteriophenyl)-1-(trideuteriomethyl)-3H-1,4-benzodiazepin-2-one, InChI=1/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H
Topological Polar Surface Area 32.7
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 20.0
Description Diazepam, first marketed as Valium by Hoffmann-La Roche, is a benzodiazepine derivative drug. It is commonly used for treating anxiety, insomnia, seizures including status epilepticus, muscle spasms (such as in cases of tetanus), restless legs syndrome, alcohol withdrawal, benzodiazepine withdrawal and Ménière's disease. Diazepam is found in potato and common wheat.
Isotope Atom Count 0.0
Molecular Complexity 403.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q9ES14, P22300, P30536, P02768, Q16445, P16305, P16257, P63138, P18507, P34903, Q9NY46, P47869, P28472, P31644, P23574, P04177, P63079, P30551, P32238, P08104, P30553, Q63931, P23576, P18505, P02763, O15245, P02692, P14867, n.a., P08183, P43220, O94956, Q9NPD5, Q9Y6L6, O42275, P81908, Q9NUW8, P02770, O60885, O60840, P42330, P52895, Q04828, P62813, P20236, P19969, O95342, O15438, O15439, P0DTD1, P10275
Iupac Name 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Prediction Hob 1.0
Class Benzodiazepines
Target Id NPT2777, NPT3504, NPT3507, NPT3505, NPT1406, NPT6140, NPT6141, NPT6142
Xlogp 3.0
Superclass Organoheterocyclic compounds
Subclass 1,4-benzodiazepines
Molecular Formula C16H13ClN2O
Prediction Swissadme 0.0
Inchi Key AAOVKJBEBIDNHE-UHFFFAOYSA-N
Fcsp3 0.125
Logs -4.073
Rotatable Bond Count 1.0
State Solid
Logd 2.571
Synonyms 7-Chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine, 7-Chloro-1-methyl-5-3H-1,4-benzodiazepin-2(1H)-one, 7-Chloro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one, 7-chloro-1,3-dihydro-1-Methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, Alboral, Aliseum, Alupram, Amiprol, An-ding, Ansilive, Ansiolin, Ansiolisina, Antenex, Anxicalm, Anxionil, Apaurin, Apo-diazepam, Apozepam, Armonil, Arzepam, Assival, Atensine, Atilen, Azedipamin, Baogin, Bensedin, Benzopin, Best, Betapam, Bialzepam, Britazepam, Calmaven, Calmocitene, Calmod, Calmpose, Caudel, Centrazepam, Cercine, Ceregulart, Chuansuan, Desconet, Desloneg, Diacepan, Diaceplex, Dialag, Dialar, Diapam, Diapax, Diapine, Diaquel, Diastat, Diatran, Diazapam, Diazem, Diazepin, Dipam, Dipaz, Dipezona, Disopam, Dizac, Doval, Drenian, Ducene, Duksen, Dupin, Duxen, Eridan, Euphorin p, Eurosan, Evacalm, Faustal, Faustan, Gewacalm, Gradual, Gubex, Horizon, Jinpanfan, Kratium, Lamra, Lembrol, Levium, Lovium, Mandro, Mandrozep, Mentalium, Methyl diazepinone, Methyldiazepinone, Morosan, Nellium, Nerozen, Nivalen, Nixtensyn, Notense, Novazam, Pacitran, Paralium, Parzam, Pax, Paxate, Paxel, Paxum, Placidox 10, Placidox 2, Placidox 5, Plidan, Pomin, Propam, Prozepam, Psychopax, Q-Pam, Quievita, Radizepam, Relanium, Reliver, Saromet, Sedapam, Seduksen, Seduxen, Serenack, Serenamin, Serenzin, Servizepam, Setonil, Sibazon, Sibazone, Simasedan, Sipam, Solis, Sonacon, Stesolid, Stesolin, Tensium, Tensopam, Tranimul, Trankinon, Tranquirit, Trazepam, Umbrium, Unisedil, Valaxona, Valeo, Valiquid, Valitran, Valium, Valrelease, Valuzepam, Vanconin, Vatran, Vazen, Vazepam, Velium, Vival, Vivol, Winii, Zepaxid, Zipan, 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, Diazemuls
Substituent Name 1,4-benzodiazepine, Halobenzene, Chlorobenzene, Benzenoid, Monocyclic benzene moiety, Aryl halide, Aryl chloride, Tertiary carboxylic acid amide, Tertiary amine, Lactam, Ketimine, Carboxamide group, Azacycle, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Organochloride, Organohalogen compound, Imine, Carbonyl group, Amine, Aromatic heteropolycyclic compound
Compound Name Diazepam
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 284.072
Formal Charge 0.0
Monoisotopic Mass 284.072
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 284.74
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -3.8671252000000003
Inchi InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
Smiles CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent 1,4-benzodiazepines

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