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Temazepam
CAS: 846-50-4 | C16H13ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
846-50-4
Molecular Formula:
C16H13ClN2O2
Molecular Mass:
300.75 g/mol
Names and Synonyms:
Temazepam
Restoril
Tenox
Tenox (pharmaceutical)
Euhypnos
Signopam
7-Chloro-1,3-dihydro-5-phenyl-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one
(±)-Temazepam
(RS)-Temazepam
Racemic temazepam
Planum
Normison
Euipnos
Ro 5-5354
Gelthix
Remestan
Perdorm
NSC 246303
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-
7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
3-Hydroxydiazepam
N-Methyloxazepam
Ro 5-5345
Temazepam
7-Chloro-1,3-dihydro-1-methyl-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one
Methyloxazepam
7-Chloro-3-hydroxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine
ER 115
Oxydiazepam
1-Methyl-3-hydroxy-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Crisonar
Levanxene
Levanxol
Wy 3917
K 3917
Identifiers:
SMILES:
CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21
InChI:
InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
Key Properties
Melting Point
119-121 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 300.75 g/mol | CAS Common Chemistry |
| 300.74500000000006 g/mol | RDKit | |
| 300.066555336 g/mol | RDKit | |
| Canonical SMILES | O=C1N(C=2C=CC(Cl)=CC2C(=NC1O)C=3C=CC=CC3)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SEQDDYPDSLOBDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119-121 °C | CAS Common Chemistry |
| Name | Temazepam | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.900000000000006 Ų | RDKit |
| LogP | 2.4722 | RDKit |
| Molar Refractivity | 82.94980000000002 | RDKit |
