CAS 963-39-3|Demoxepam
| 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 | / |
| MSDS | / | Flash Point | 224.4ºC |
| Symbol | GHS02, GHS07 | Signal Word | Danger |
Names
| Name | 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one |
|---|---|
| Synonym | More Synonyms |
Demoxepam BiologicalActivity
| 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 | Research Areas >>CancerSignaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease |
| References | [1]. Moustapha Ouédraogo, et al. In vitro cytotoxicity study of oxaziridines generated after chlordiazepoxide, demoxepam, and desmethylchlordiazepoxide UV irradiation. Drug Chem Toxicol. 2009;32(4):417-23. [2]. Gregory G Sarris, et al. Demoxepam Derivatization and GC-MS Analysis Produces Erroneous Nordiazepam and Oxazepam Results. J Anal Toxicol. 2019 Jun 1;43(5):406-410. |
Chemical & Physical Properties
| 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 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >4 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTCEA9 Current Therapeutic Research, Clinical & Experimental. (Therapeutic Research Press, Inc., POB 514, Tenafly, NJ 07670) V.1- 1959- Volume(issue)/page/year: 7,590,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1950 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 26RAAN "Benzodinzenines," Garattini, S., et al., New York, Raven Press, 1973 Volume(issue)/page/year: -,39,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 290 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTCEA9 Current Therapeutic Research, Clinical & Experimental. (Therapeutic Research Press, Inc., POB 514, Tenafly, NJ 07670) V.1- 1959- Volume(issue)/page/year: 7,590,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTCEA9 Current Therapeutic Research, Clinical & Experimental. (Therapeutic Research Press, Inc., POB 514, Tenafly, NJ 07670) V.1- 1959- Volume(issue)/page/year: 7,590,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 628 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTCEA9 Current Therapeutic Research, Clinical & Experimental. (Therapeutic Research Press, Inc., POB 514, Tenafly, NJ 07670) V.1- 1959- Volume(issue)/page/year: 7,590,1965
Safety Information
| 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 |
Customs
| 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% |
Articles13
More Articles| 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... |
Synonyms
| 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 |
