CAS Number963-39-3
Synonyms7-chloro-5-phenyl-1, 3-dihydro-2H-1, 4-benzodiazpine-2-one-4-oxide; Demoxepam; 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; 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
Molecular FormulaC15H11ClN2O2
Molecular Weight286.71
Purity98.00%
Density1.37g/cm3
Boiling Point447.4ºC at 760mmHg
Appearanceliquid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 963-39-3 |
| Catalog No. | 2A-9025793 |
| Chinese Name | 地莫西泮 |
| Synonyms | 7-chloro-5-phenyl-1, 3-dihydro-2H-1, 4-benzodiazpine-2-one-4-oxide; Demoxepam; 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; 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 |
| Molecular Formula | C15H11ClN2O2 |
| Molecular Weight | 286.71 |
| Purity | 98.00 |
| Density | 1.37g/cm3 |
| Boiling Point | 447.4ºC at 760mmHg |
| Appearance | liquid |
| Application | Demoxepam is the major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxic activity against cancer cell lines. Demoxepam has anticonvulsant and anxiolytic effects. |
| HTC | 2933990090 |
| PubChem ID | 329798639 |
| MDL Number | MFCD00868147 |
| SMILES | ClC1=CC=C(NC(C[N+]([O-])=C2C3=CC=CC=C3)=O)C2=C1 |
| InChI | 1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19) |
| InChI Key | GGRWZBVSUZZMKS-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/25793_1_963_39_3.pdf |
| Use of | Demoxepam is a major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxicity activity against cancer cell lines. Demoxepam has anticonvulsant and anxiolytic effects[1][2]. Properties Articles13 Name 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one Synonym More Synonyms Demoxepam Biological Activity 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 >> Cancer Signaling Pathways >> Others >> Others Research 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 Exact Mass 286.05100 PSA 57.85000 LogP 2.73660 Index of Refraction 1.682 InChIKey PSADRZMLSXCSAS-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-, 4-oxide CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C15-H11-Cl-N2-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T67 GMV JN IHJ CG JO KR HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 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 : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : Safety Information 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 HS Code 2933990090 Synthetic Route Total: 1 Page CAS#:439-14-5 Desmethyldiazepam CAS#:1088-11-5 CAS#:604-75-1 CAS#:963-39-3 Literature: US6815543 B1, ; Page column 8-10 ; chlordiazepoxid... CAS#:438-41-5 CAS#:963-39-3 Literature: Psychopharmacology, , vol. 208, # 4 p. 555 - 562 Precursor & DownStream Precursor 2 CAS#:439-14-5 CAS#:438-41-5 chlordiazepoxid... DownStream 3 CAS#:604-75-1 CAS#:4797-43-7 6-chloro-4-phen... CAS#:60628-57-1 7-chloro-3-fluo... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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