Demoxepam
Demoxepam structure
|
Common Name | Demoxepam | ||
|---|---|---|---|---|
| CAS Number | 963-39-3 | Molecular Weight | 286.71300 | |
| Density | 1.37g/cm3 | Boiling Point | 447.4ºC at 760mmHg | |
| Molecular Formula | C15H11ClN2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 224.4ºC | |
| Symbol |
GHS02, GHS07 |
Signal Word | Danger | |
Use of DemoxepamDemoxepam is a major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxicity activity against cancer cell lines. Demoxepam has anticonvulsant and anxiolytic effects[1][2]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Demoxepam is a major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxicity activity against cancer cell lines. Demoxepam has anticonvulsant and anxiolytic effects[1][2]. |
|---|---|
| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.37g/cm3 |
|---|---|
| Boiling Point | 447.4ºC at 760mmHg |
| Molecular Formula | C15H11ClN2O2 |
| Molecular Weight | 286.71300 |
| Flash Point | 224.4ºC |
| Exact Mass | 286.05100 |
| PSA | 57.85000 |
| LogP | 2.73660 |
| Index of Refraction | 1.682 |
| InChIKey | PSADRZMLSXCSAS-UHFFFAOYSA-N |
| SMILES | O=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H302 + H312 + H332-H319 |
| Precautionary Statements | P210-P261-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235 |
| RIDADR | UN 1648 3 / PGII |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~0%
Demoxepam CAS#:963-39-3
Detail
Learn More
|
| Literature: US6815543 B1, ; Page column 8-10 ; |
|
~%
Demoxepam CAS#:963-39-3 |
| Literature: Psychopharmacology, , vol. 208, # 4 p. 555 - 562 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 3 | |
CAS#:4797-43-7
CAS#:60628-57-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
Liquid chromatography of demoxepam and phenothiazines using a post-column photochemical reactor and fluorescence detection.
J. Chromatogr. A. 217 , 463-71, (1981) Upon irradiation with short-wavelength UV light the tranquillizer demoxepam is converted into a highly fluorescent product. This reaction serves as a sensitive and selective means of detection of low ... |
|
|
The rapid hydrolysis of chlordiazepoxide to demoxepam may affect the outcome of chronic osmotic minipump studies.
Psychopharmacology 208(4) , 555-62, (2010) In chronic studies, the classical benzodiazepine chlordiazepoxide (CDP) is often the preferred drug because, unlike other benzodiazepines, it is soluble in water. However, rapid CDP hydrolysis in solu... |
|
|
Methods for the determination of lorazepam and chlordiazepoxide and metabolites in brain tissue. A comparison with plasma concentrations in the rat.
J. Chromatogr. A. 277 , 201-8, (1983) Rapid and sensitive methods are described for determining lorazepam and for determining chlordiazepoxide and its metabolites in brain tissue of the rat. Lorazepam was determined by means of solvent ex... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7-chloro-5-phenyl-1, 3-dihydro-2H-1, 4-benzodiazpine-2-one-4-oxide |
| Demoxepam |
| CHLORDIAZEPOXIDE RELATED COMPOUND A |
| 7-Chloro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide |
| 7-CHLORO-1,3-DIHYDRO-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE-4-OXIDE |
| Ro 5-2092 |
| Ro 5-2092 lactam |
| Chlordiazepoxide Related Compound A (25 mg) (7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-Oxide) |
| 7-CHLORO-1,3-DIHYDRO-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE 4-OXIDE |
| 7-CHLORO-1,3-DIHYDRO-5-PHENYL-1,4-BENZODIAZEPIN-2-ONE-4-OXID |
| nordiazepam 4-oxide |
| 7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepine-2-one-4-oxide |
| 7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one-4-oxide |
| Chlordiazepoxide lactam |
| 5-phenyl-7-chloro-2,3-dihydro-1H-1,4-benzodiazepin-2-one 4-N-oxide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: LogP of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one is 2.73660. |
| Q: What is the boiling point of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: Boiling point of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one is 447.4ºC at 760mmHg. |
| Q: What is the CAS number of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: CAS number of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one is 963-39-3. |
| Q: What is the polar surface area (PSA) of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: Polar surface area (PSA) of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one is 57.85000. |
| Q: What is the molecular formula of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: Molecular formula of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one is C15H11ClN2O2. |
| Q: What are the uses of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: Main uses of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one: Demoxepam is a major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxicity activity against cancer cell lines. Demoxepam has anticonvulsant and anxiolytic effects[1][2]. |
| Q: What is the InChIKey of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: InChIKey of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one is PSADRZMLSXCSAS-UHFFFAOYSA-N. |
| Q: What are the downstream products of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: Related downstream products(CAS) of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one: 604-75-1;4797-43-7;60628-57-1. |
| Q: What is the SMILES notation of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: SMILES notation of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one is O=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1. |
| Q: What are the upstream materials of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one? |
| A: Related upstream materials(CAS) of 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one: 439-14-5;438-41-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |