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Molecule
Zaxopam
CAS: 604-75-1 · C15H11ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 604-75-1
- Molecular Formula
- C15H11ClN2O2
- Molecular Mass
- 286.72 g/mol
Identifiers
CAS Registry Number
604-75-1
SMILES
OC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O
InChI Key
ADIMAYPTOBDMTL-UHFFFAOYSA-N
InChI
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
Names and Synonyms
- Zaxopam Synonym
- Oxazepam Synonym
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl- Synonym
- 7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one Synonym
- Wy 3498 Synonym
- Ro 5-6789 Synonym
- Adumbran Synonym
- 7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one Synonym
- Oxazepam Synonym
- Serax Synonym
- Seresta Synonym
- Aplakil Synonym
- Bonare Synonym
- Enidrel Synonym
- Limbial Synonym
- Nesontil Synonym
- Praxiten Synonym
- Propax Synonym
- Rondar Synonym
- Serenal Synonym
- Serepax Synonym
- Tazepam Synonym
- Psiquiwas Synonym
- Hi-Long Synonym
- Astress Synonym
- Sobril Synonym
- Drimuel Synonym
- Droxacepam Synonym
- Anxiolit retard Synonym
- Tarchomin Synonym
- Nozepam Synonym
- N-Desmethyltemazepam Synonym
- Anxiolit Synonym
- Nortemazepam Synonym
- (±)-Oxazepam Synonym
- (RS)-Oxazepam Synonym
- Noctazepam Synonym
- Serenid Synonym
- Lederpam Synonym
- Quilibrex Synonym
- Isodin Synonym
- Azutranquil Synonym
- Uskan Synonym
- Oxanid Synonym
- Sigacalm Synonym
- Oxa-puren Synonym
- Durazepam Synonym
- NSC 169448 Synonym
- 3-Hydroxynordiazepam Synonym
- Serenid-D Synonym
- 7-Chloro-3-hydroxy-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 286.72 g/mol | CAS Common Chemistry |
| 286.718 g/mol | RDKit | |
| 286.715 g/mol | chempirical lib | |
| Canonical SMILES | O=C1NC=2C=CC(Cl)=CC2C(=NC1O)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19) | CAS Common Chemistry |
| InChI Key | InChIKey=ADIMAYPTOBDMTL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205-206 °C | CAS Common Chemistry |
| Name | Oxazepam | CAS Common Chemistry |
| Heavy Atom Count | 20 | 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 | 3.0974000000000017 | RDKit |
| 3.0974 | RDKit | |
| Molar Refractivity | 79.26360000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 286.050905272 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 286.72 g/mol. Edit any field — others recompute live.
