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Molecule
Temazepam
CAS: 846-50-4 · C16H13ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 846-50-4
- Molecular Formula
- C16H13ClN2O2
- Molecular Mass
- 300.75 g/mol
Identifiers
CAS Registry Number
846-50-4
SMILES
CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21
InChI Key
SEQDDYPDSLOBDC-UHFFFAOYSA-N
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
Names and Synonyms
- Temazepam Common Name
- Restoril Synonym
- Tenox Synonym
- Tenox (pharmaceutical) Synonym
- Euhypnos Synonym
- Signopam Synonym
- 7-Chloro-1,3-dihydro-5-phenyl-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one Synonym
- (±)-Temazepam Synonym
- (RS)-Temazepam Synonym
- Racemic temazepam Synonym
- Planum Synonym
- Normison Synonym
- Euipnos Synonym
- Ro 5-5354 Synonym
- Gelthix Synonym
- Remestan Synonym
- Perdorm Synonym
- NSC 246303 Synonym
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl- Synonym
- 7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one Synonym
- 3-Hydroxydiazepam Synonym
- N-Methyloxazepam Synonym
- Ro 5-5345 Synonym
- Temazepam Synonym
- 7-Chloro-1,3-dihydro-1-methyl-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one Synonym
- Methyloxazepam Synonym
- 7-Chloro-3-hydroxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine Synonym
- ER 115 Synonym
- Oxydiazepam Synonym
- 1-Methyl-3-hydroxy-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one Synonym
- Crisonar Synonym
- Levanxene Synonym
- Levanxol Synonym
- Wy 3917 Synonym
- K 3917 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 300.75 g/mol | CAS Common Chemistry |
| 300.74500000000006 g/mol | RDKit | |
| 300.745 g/mol | RDKit | |
| 300.742 g/mol | chempirical lib | |
| 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 |
| 52.9 Ų | RDKit | |
| 52.67 Ų | chempirical lib | |
| LogP | 2.4722 | RDKit |
| 2.28 | chempirical lib | |
| Molar Refractivity | 82.94980000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 300.066555336 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 300.75 g/mol. Edit any field — others recompute live.
