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Molecule
Diazepam
CAS: 439-14-5 · C16H13ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 439-14-5
- Molecular Formula
- C16H13ClN2O
- Molecular Mass
- 284.75 g/mol
Identifiers
CAS Registry Number
439-14-5
SMILES
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
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
Names and Synonyms
- Diazepam Synonym
- Trazepam Synonym
- Diazepin Synonym
- Tensium Synonym
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl- Synonym
- Dialar Synonym
- 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one Synonym
- Wy 3467 Synonym
- Ro 5-2807 Synonym
- 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one Synonym
- Diazepam Synonym
- Methyldiazepinone Synonym
- Noan Synonym
- Saromet Synonym
- Valium Synonym
- Methyldiazepinone (pharmaceutical) Synonym
- 1-Methyl-5-phenyl-7-chloro-1,3-dihydro-1H-1,4-benzodiazepin-2-one Synonym
- 7-Chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine Synonym
- Duxen Synonym
- Seduxen Synonym
- Cercine Synonym
- Faustan Synonym
- 1-Methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one Synonym
- 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one Synonym
- LA 111 Synonym
- Apaurin Synonym
- Apozepam Synonym
- Atensine Synonym
- Atilen Synonym
- Bialzepam Synonym
- Ceregulart Synonym
- Eridan Synonym
- Lembrol Synonym
- Levium Synonym
- Morosan Synonym
- Paxate Synonym
- Paxel Synonym
- Relanium Synonym
- Setonil Synonym
- Stesolid Synonym
- Stesolin Synonym
- Tranimul Synonym
- Vival Synonym
- Vivol Synonym
- Diacepan Synonym
- Calmpose Synonym
- Diapam Synonym
- Calmocitene Synonym
- Quievita Synonym
- Ansiolisina Synonym
- Valeo Synonym
- Assival Synonym
- Relaminal Synonym
- Sibazon Synonym
- Horizon Synonym
- Sibazone Synonym
- An-Ding Synonym
- Diazemuls Synonym
- Sonacon Synonym
- Umbrium Synonym
- Diazepam-Lipuro Synonym
- Valrelease Synonym
- Org 2447 Synonym
- Aliseum Synonym
- Nellium Synonym
- Dupin Synonym
- Diapine Synonym
- Pomin Synonym
- Vatran Synonym
- Notense Synonym
- Lovium Synonym
- Amiprol Synonym
- Simasedan Synonym
- Jinpanfan Synonym
- Benzopin Synonym
- Disopam Synonym
- Caudel Synonym
- Doval Synonym
- Valitran Synonym
- Armonil Synonym
- Betapam Synonym
- Paxum Synonym
- Desconet Synonym
- D-Pam Synonym
- Nixtensyn Synonym
- Arzepam Synonym
- Calmod Synonym
- Ortopsique Synonym
- Diatran Synonym
- Trankinon Synonym
- Novazam Synonym
- Nivalen Synonym
- Apo-diazepam Synonym
- Kratium 2 Synonym
- Dipaz Synonym
- Drenian Synonym
- Valaxona Synonym
- Gubex Synonym
- Ducene Synonym
- Zepaxid Synonym
- Ansiolin Synonym
- Alboral Synonym
- Diaquel Synonym
- Placidox 2 Synonym
- Chuansuan Synonym
- Propam Synonym
- Winii Synonym
- Gewacalm Synonym
- Baogin Synonym
- Reliver Synonym
- Anxionil Synonym
- Placidox 5 Synonym
- Azedipamin Synonym
- Parzam Synonym
- Vazen Synonym
- Mandro Synonym
- Desloneg Synonym
- Anlin Synonym
- Alupram Synonym
- Dizac Synonym
- Valiquid Synonym
- Dialag Synonym
- Diastat Synonym
- Euphorin P Synonym
- Tranquirit Synonym
- Antenex Synonym
- Placidox 10 Synonym
- Meval Synonym
- Kratium Synonym
- Diaceplex Synonym
- Diapax Synonym
- Plidan Synonym
- Gradual Synonym
- Nerozen Synonym
- Sipam Synonym
- Best Synonym
- Centrazepam Synonym
- Diazem Synonym
- Dipezona Synonym
- Paceum Synonym
- Mentalium Synonym
- Radizepam Synonym
- DZP Synonym
- Psychopax Synonym
- Britazepam Synonym
- Tranquil Synonym
- Reposepan Synonym
- Pax Synonym
- Pacitran Synonym
- Euphorin Synonym
- Evacalm Synonym
- Elcion CR Synonym
- Neurolytril Synonym
- Sedapam Synonym
- Eurosan Synonym
- Servizepam Synonym
- Q-Pam Synonym
- Tranquo-Tablinen Synonym
- Mandrozep Synonym
- Dipam Synonym
- Tranquase Synonym
- Solis Synonym
- Unisedil Synonym
- Lamra Synonym
- Valium Injectable Synonym
- Tranquo-Puren Synonym
- NSC 77518 Synonym
- 7-Chloro-1-methyl-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one Synonym
- NSC 169897 Synonym
- Horizon (pharmaceutical) Synonym
- Compaz Synonym
- 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Synonym
- Relium Synonym
- Pamlin Synonym
- 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Synonym
- 7-Chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one Synonym
- Apzepam Synonym
- Hexalid Synonym
- Stedon Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.75 g/mol | CAS Common Chemistry |
| 284.74600000000004 g/mol | RDKit | |
| 284.746 g/mol | RDKit | |
| 284.743 g/mol | chempirical lib | |
| Canonical SMILES | O=C1N(C=2C=CC(Cl)=CC2C(=NC1)C=3C=CC=CC3)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=AAOVKJBEBIDNHE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132 °C | CAS Common Chemistry |
| Name | Diazepam | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.67 Ų | RDKit |
| 32.44 Ų | chempirical lib | |
| LogP | 3.153800000000002 | RDKit |
| 3.1538 | RDKit | |
| Molar Refractivity | 81.81000000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 284.07164071600005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 284.75 g/mol. Edit any field — others recompute live.
