Diazepam
CAS Number: 439-14-5
Molecular Mass: 284.74 g/mol
Formula: C16H13ClN2O
Smiles: CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
Synonymes:
Diazepam, diazepam, Valium, 439-14-5, Ansiolisina, Diazemuls, Apaurin, Faustan, Relanium, Seduxen, Sibazon, Stesolid, Alboral, Bialzepam, Ceregulart, Neurolytril, Serenamin, Valrelease, Ansiolin, Apozepam, Atensine, Calmpose, Cercine, Lembrol, Morosan, Setonil, Sonacon, Stesolin, Tranimul, Atilen, Duxen, Eridan, Levium, Paxate, Paxel, Vivol, Noan, Methyldiazepinone, Calmocitene, Condition, Diacepan, Diazepan, Diazetard, Dipezona, Domalium, Kiatrium, Liberetas, Paranten, Quetinil, Quiatril, Quievita, Relaminal, Renborin, Seduksen, Serenack, Serenzin, Tensopam, Tranqdyn, Tranquase, Tranquirit, Unisedil, Valitran, Aliseum, Amiprol, Assival, Diapam, Diastat, Dienpax, Duksen, Evacalm, Freudal, Frustan, Gihitan, Horizon, Plidan, Saromet, Sedipam, Umbrium, Vatran, Velium, Solis, Valeo, Vival, Zipan, Usempax ap, LA III, Methyl diazepinone, Centrazepam, Q-pam, Dialar, Dizac, La-Iii, An-Ding, e-Pam, Servizepam, Diazepam Intensol, Ro 5-2807, NSC-77518, Diacepin, Nervium, 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, Diazepam-Lipuro, WY-3467, 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, Diazepamum, Tensium, 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, LIBERVANT, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-, DTXSID4020406, Methyldiazepinone (pharmaceutical), Q3JTX2Q7TU, NRL-1, 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, VALTOCO, CHEBI:49575, RO-5-2807, 1-Methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one, Ro-52807, DTXCID20406, 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one, NSC77518, NSC169897, Scriptopam, Valclair, Dialar fte, Diazepam Oral, Gabavale-5, Alupram 2, Alupram 5, Alupram 10, RefChem:6418, DIAZEPAM, CHOLINE, Diazepam Oral Solution (Concentrate), 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on, 207-122-5, NSC46083, Bensedin, Ruhsitus, Armonil, Dialag, Eurosan, Lamra, Kabivitrum, Gewacalm, Novazam, Valaxona, Valiquid, Diapax, Dipam, Paceum, Jinpanfan, Antenex, Arzepam, Drenian, Ducene, Kratium, Nellium, Nerozen, Zepaxid, Doval, Paxum, Sipam, Vazen, Placidox 5, D-Pam, Faustan,, Wy 3467, CHEMBL12, DZP, Alupram, Methyldiazepinone, pharmaceutical, Reliver, Sedapam, Apo-diazepam, LA 111, 7-Chloro-1-methyl-5-3H-1,4-benzodiazepin-2(1H)-one, NCGC00178168-02, Calmociteno, Ansilive, Anxicalm, Anxionil, Benzopin, Betapam, Britazepam, Calmaven, Chuansuan, Desconet, Desloneg, Diaceplex, Diapine, Diaquel, Diatran, Diazepin, Disopam, Faustal, Gradual, Iazepam, Medipam, Mentalium, Metamidol, Nivalen, Nixtensyn, Notense, Novodipam, Ortopsique, Paralium, Prozepam, Psychopax, Radizepam, Trankinon, Trazepam, Valuzepam, Vanconin, Baogin, Calmod, Caudel, Diazem, Lovium, Mandro, Parzam, Dipaz, Dupin, Gubex, Lizan, Pomin, Winii, Diazepam Nordic, Diazepan leo, Diazepam Elmu, Diazepam Fabra, Diazepam Stada, Metil Gobanal, Diazepam Dak, Tranquo-tablinen, Diazepam Desitin, Euphorin P, Mandro-Zep, Sico Relax, Diazepam Rectubes, S.a. r.l., Elcion CR, Placidox 2, Kratium 2, Diazepam-ratiopharm, Placidox 10, Diazepamu [Polish], Diazepam-Eurogenerics, Diazepam (1mg/mL in Methanol), Diazepamu, Mandrozep, Plumiaz, Tranquo-puren, Diazepamum [INN-Latin], 7-chloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one, WLN: T67 GNV JN IHJ CG G1 KR, CAS-439-14-5, SMR000058398, CCRIS 6009, Best [Pharaceutical], HSDB 3057, 2H-1, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-, EINECS 207-122-5, UNII-Q3JTX2Q7TU, LA-111, 1-Methyl-5-phenyl-7-chloro-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one, NSC 169897, BRN 0754371, Anlin, DEA No. 2765, Pro pam, Diastat (TN), Valium (TN), Diazepam [USAN:USP:INN:BAN:JAN], DIAZEPAM [HSDB], DIAZEPAM [IARC], DIAZEPAM [USAN], DIAZEPAM [INN], DIAZEPAM [JAN], DIAZEPAM [MI], DIAZEPAM [VANDF], Diazepam CRS - * psy, Spectrum3_001780, Spectrum4_000576, Spectrum5_001890, DIAZEPAM [MART.], DIAZEPAM [WHO-DD], BIDD:PXR0158, Epitope ID:2278757, Oprea1_126223, SCHEMBL21442, BSPBio_003279, KBioGR_001012, 5-24-04-00300 (Beilstein Handbook Reference), MLS000759402, MLS001424086, BIDD:GT0105, DIAZEPAM [GREEN BOOK], DivK1c_000967, Diazepam (JP18/USP/INN), Diazepam, 1mg/ml in Methanol, DIAZEPAM [ORANGE BOOK], DIAZEPAM CIV [USP-RS], GTPL3364, S.A.R.L., DIAZEPAM [EP MONOGRAPH], DIAZEPAM [USP MONOGRAPH], SCHEMBL29362687, 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, Tox21_113071, Tox21_202458, 7-Chloro-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one, BDBM50000766, STK735517, AKOS003367969, Diazepam 1000 microg/mL in Methanol, Tox21_113071_1, AB02310, 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, DB-051179, NS00008403, NS00114260, C06948, D-1450, D00293, Q210402, BRD-K16508793-001-01-8, BRD-K16508793-001-05-9, Diazepam for system suitability CRS - * psy (Diazepam), Diazepam, European Pharmacopoeia (EP) Reference Standard, 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-1,4-benzodiazepin-2-one, 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, 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
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Ethanol | 298.2 | - | 23.72 | [403] |
| Ethanol | 303.2 | - | 25.29 | [403] |
| Ethanol | 308.2 | - | 26.7 | [403] |
| Ethanol | 313.2 | - | 31.83 | [403] |
| Ethanol | 318.2 | - | 37.02 | [403] |
| N-Methyl-2-pyrrolidone | 298.2 | - | 247.8 | [403] |
| N-Methyl-2-pyrrolidone | 303.2 | - | 424.6 | [403] |
| N-Methyl-2-pyrrolidone | 308.2 | - | 468.6 | [403] |
| N-Methyl-2-pyrrolidone | 313.2 | - | 524.9 | [403] |
| N-Methyl-2-pyrrolidone | 318.2 | - | 565.8 | [403] |
| Propylene Glycol | 298.2 | - | 7.78 | [403] |
| Propylene Glycol | 303.2 | - | 10.62 | [403] |
| Propylene Glycol | 308.2 | - | 17.89 | [403] |
| Propylene Glycol | 313.2 | - | 20.58 | [403] |
| Propylene Glycol | 318.2 | - | 26.03 | [403] |
| Water | 293.15 | - | 0.04241 | [404] |
| Water | 298.2 | - | 0.01984 | [403] |
| Water | 299.15 | - | 0.04742 | [404] |
| Water | 303.15 | - | 0.0567 | [404] |
| Water | 303.2 | - | 0.02592 | [403] |
| Water | 303.2 | - | 0.063 | [405] |
| Water | 308.15 | - | 0.0624 | [404] |
| Water | 308.2 | - | 0.03746 | [403] |
| Water | 313.15 | - | 0.07622 | [404] |
| Water | 313.2 | - | 0.04489 | [403] |
| Water | 318.2 | - | 0.0655 | [403] |
| tert-Butanol | 299.15 | - | 19.13 | [404] |
| tert-Butanol | 303.15 | - | 22.87 | [404] |
| tert-Butanol | 308.15 | - | 27.7 | [404] |
| tert-Butanol | 313.15 | - | 35.53 | [404] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1559.8994 |
| PMI2 | 1738.3334 |
| PMI3 | 2876.7511 |
| NPR1 | 0.5422 |
| NPR2 | 0.6043 |
| RadiusOfGyration | 3.2929 |
| InertialShapeFactor | 0.0004 |
| Eccentricity | 0.8402 |
| Asphericity | 0.1606 |
| SpherocityIndex | 0.3436 |
| PBF | 0.9937 |