CAS 963-39-3|Demoxepam

Introduction:Basic information about CAS 963-39-3|Demoxepam, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameDemoxepam
CAS Number963-39-3Molecular Weight286.71300
Density1.37g/cm3Boiling Point447.4ºC at 760mmHg
Molecular FormulaC15H11ClN2O2Melting Point/
MSDS/Flash Point224.4ºC
Symbol
GHS02, GHS07
Signal WordDanger

Names

Name7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
SynonymMore Synonyms

Demoxepam BiologicalActivity

DescriptionDemoxepam is a major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxicity activity against cancer cell lines. Demoxepam has anticonvulsant and anxiolytic effects[1][2].
Related CatalogResearch 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

Density1.37g/cm3
Boiling Point447.4ºC at 760mmHg
Molecular FormulaC15H11ClN2O2
Molecular Weight286.71300
Flash Point224.4ºC
Exact Mass286.05100
PSA57.85000
LogP2.73660
Index of Refraction1.682
InChIKeyPSADRZMLSXCSAS-UHFFFAOYSA-N
SMILESO=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF1925000
CHEMICAL NAME :
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-, 4-oxide
CAS REGISTRY NUMBER :
963-39-3
BEILSTEIN REFERENCE NO. :
0755892
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C15-H11-Cl-N2-O2
MOLECULAR WEIGHT :
286.73
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 :
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 WordDanger
Hazard StatementsH225-H302 + H312 + H332-H319
Precautionary StatementsP210-P261-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235
RIDADRUN 1648 3 / PGII
HS Code2933990090

Customs

HS Code2933990090
Summary2933990090. 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
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