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Titus
CAS: 846-49-1 | C15H10Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
846-49-1
Molecular Formula:
C15H10Cl2N2O2
Molecular Weight:
321.163 g/mol
Names and Synonyms:
Titus
Trapex
NIC
Lorazepam
7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1H-1,4-benzodiazepin-2(3H)-one
Lorazem
Tavor Expidet
NSC 289758
Lorsilan
Pro Dorm
Somagerol
Quait
Sedazin
Securit
Psicopax
Emotival
Control
Stapam
Reposepan
Sinestron
Tranqipam
Rocosgen
Lorazin
Aplacasse
Lorivan
Lorzem
Kalmalin
Trapax
Equitam
Lorazon
Aripax
Anzepam
Anxira
Azurogen
Silence
Laubeel
Lopam
Anxiedin
Bonton
Loridem
Sedizepan
Lozepam
Lorazene
Punktyl
Lorans
Duralozam
Nervistop L
Sidenar
Sedatival
Efasedan
Lorsedal
Lorax
Lorazep
Upan
Novhepar
Lorat
Bonatranquan
Renaquil
Wintin
Lorenin
Merlit
Lorabenz
Loram
Novo-lorazem
Aplacassee
Larpose
Lorapam
Apo-Lorazepam
Orfidal
Almazine
(RS)-Lorazepam
(±)-Lorazepam
Delormetazepam
Norlormetazepam
Wypax
Ativan
Tavor
Temesta
o-Chloroxazepam
o-Chlorooxazepam
Demethyllormetazepam
Lorazepam
Wy 4036
7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one
7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-
Identifiers:
SMILES:
OC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 321.16 g/mol | Legacy Database |
| cas-canonical-smile | O=C1NC=2C=CC(Cl)=CC2C(=NC1O)C=3C=CC=CC3Cl | Legacy Database | |
| cas-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) | Legacy Database | |
| cas-inchi-key | InChIKey=DIWRORZWFLOCLC-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 167 °C | Legacy Database | |
| cas-name | Lorazepam | Legacy Database | |
| LogP | 3.750800000000002 | RDKit | |
| Molecular | Molecular Weight | 321.163 g/mol | RDKit |
| Exact | Exact Molecular Weight | 320.01193292 g/mol | RDKit |
| Heavy | Heavy Atom Count | 21 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 65.18 Ų | RDKit |
| Molar | Molar Refractivity | 84.27360000000002 | RDKit |
