DICL_CP_0323750 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0323750

PubChem CID

3016

Molecular Formula

C₁₆H₁₃ClN₂O

Molecular Weight

284.746 g/mol

Synonyms/Alias

[diazepam; Valium; 439-14-5; Ansiolisina; Diazemuls; Alboral; Apaurin; Faustan; Relanium; Seduxen; Sibazon; Stesolid; Methyldiazepi; Ansiolin; Apozepam; Atensine; Bensedin; Bialzepam; Calmocitene; Cal...[diazepam; Valium; 439-14-5; Ansiolisina; Diazemuls; Alboral; Apaurin; Faustan; Relanium; Seduxen; Sibazon; Stesolid; Methyldiazepi; 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 diazepi; 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;; Methyldiazepi (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; 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; Methyldiazepi; 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); LIBERVANT; 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; D00293; A826456; Q210402; Valium; Ansiolisina; Diazemuls; Apaurin; Faustan; BRD-K16508793-001-01-8; 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; 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]

InChI Key

AAOVKJBEBIDNHE-UHFFFAOYSA-N

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

IUPAC Name

7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

CAS Number

439-14-5

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

20 22 0 0 0 0 0 0 0 0999 V2000
-4.3443 -0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9621 0.3307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8874 1...

Download SDF File (1811 bytes)

Experimental Data

Activity Data

Target Ion Channel

Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2

Uniprot Accession Number

P10064/P0C2W5/P22300

Function

Positive Allosteric Modulator

Species

Bos taurus (Bovine)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

K_i: 15 nM

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

Not specified

Temperature

4 °C

Test Method

Binding assay ([3H] Ro15-1788)

Test Species

Not specified

Binding Information

Binding Site

Extracellular domain

Binding Site Residue

Benzodiazepine binding site

Disease Information

Related Disease

Not specified

References

DOI

10.1021/jm020999w

URL

N/A (Not available)

PMID

12519068

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

3.1538

Complexity

81.81

TPSA (Å²)

32.67

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties