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Lorazepam
CAS: 846-49-1 | C15H10Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 846-49-1
- Molecular Formula
- C15H10Cl2N2O2
- Molecular Mass
- 321.16 g/mol
Identifiers
CAS Registry Number
846-49-1
SMILES
OC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O
InChI Key
DIWRORZWFLOCLC-UHFFFAOYSA-N
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)
Names and Synonyms
- Lorazepam Common Name
- Sidenar Synonym
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy- Synonym
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy- Synonym
- 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one Synonym
- 7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one Synonym
- Wy 4036 Synonym
- Lorazepam Synonym
- Demethyllormetazepam Synonym
- o-Chlorooxazepam Synonym
- o-Chloroxazepam Synonym
- Temesta Synonym
- Tavor Synonym
- Ativan Synonym
- Wypax Synonym
- Norlormetazepam Synonym
- Delormetazepam Synonym
- (±)-Lorazepam Synonym
- (RS)-Lorazepam Synonym
- Almazine Synonym
- Orfidal Synonym
- Apo-Lorazepam Synonym
- Lorapam Synonym
- Larpose Synonym
- Aplacassee Synonym
- Novo-lorazem Synonym
- Loram Synonym
- Lorabenz Synonym
- Merlit Synonym
- Lorenin Synonym
- Wintin Synonym
- Renaquil Synonym
- Bonatranquan Synonym
- Lorat Synonym
- Novhepar Synonym
- Upan Synonym
- Lorazep Synonym
- Lorax Synonym
- Lorsedal Synonym
- Efasedan Synonym
- Sedatival Synonym
- Nervistop L Synonym
- Duralozam Synonym
- Lorans Synonym
- Punktyl Synonym
- Lorazene Synonym
- Lozepam Synonym
- Sedizepan Synonym
- Loridem Synonym
- Bonton Synonym
- Anxiedin Synonym
- Lopam Synonym
- Laubeel Synonym
- Silence Synonym
- Azurogen Synonym
- Anxira Synonym
- Anzepam Synonym
- Aripax Synonym
- Lorazon Synonym
- Equitam Synonym
- Trapax Synonym
- Kalmalin Synonym
- Lorzem Synonym
- Lorivan Synonym
- Aplacasse Synonym
- Lorazin Synonym
- Rocosgen Synonym
- Tranqipam Synonym
- Sinestron Synonym
- Reposepan Synonym
- Stapam Synonym
- Control Synonym
- NIC Synonym
- Trapex Synonym
- Titus Synonym
- Emotival Synonym
- Psicopax Synonym
- Securit Synonym
- Sedazin Synonym
- Quait Synonym
- Somagerol Synonym
- Pro Dorm Synonym
- Lorsilan Synonym
- NSC 289758 Synonym
- Tavor Expidet Synonym
- Lorazem Synonym
- 7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1H-1,4-benzodiazepin-2(3H)-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 321.16 g/mol | CAS Common Chemistry |
| 321.163 g/mol | RDKit | |
| 321.157 g/mol | chempirical lib | |
| Canonical SMILES | O=C1NC=2C=CC(Cl)=CC2C(=NC1O)C=3C=CC=CC3Cl | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=DIWRORZWFLOCLC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | Lorazepam | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 3.750800000000002 | RDKit |
| 3.7508 | RDKit | |
| Molar Refractivity | 84.27360000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 320.01193292 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
