ChemicalBook CAS DataBase List 22316-55-8

22316-55-8

Name	8-chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
CAS	22316-55-8
EINECS(EC#)	244-909-2
Molecular Formula	C15H11ClN2O2
MDL Number	MFCD00871860
Molecular Weight	286.71
MOL File	22316-55-8.mol

Synonyms

Clofazin Norclobazam Demethylclobazam Einecs 244-909-2 Desmethylclobazam N-Demethylclobazam Clobazam EP Impurity A N-Desmethylclobazam (CRM) Clobazam Related Compound A N-Desmethylclobazam solution Clobazam impurity A (Y0000241) Clobazam USP Related Compound A Clobazam - Impurity A (Freebase) Clobazam Impurity 1（Clobazam EP Impurity A） Clobazam EP Impurity A (N-Desmethylclobazam) N-Desmethyl Clobazam (100 μg/mL in Acetonitrile ) 7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione 8-chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione 7-Chloro-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 8-chloro-1-phenyl- 8-chloro-1-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione 7-Chloro-5-phenyl-1,5-dihydro-3H-1,5-benzodiazepine-2,4-dione N-DesmethylclobazamQ: What is N-Desmethylclobazam Q: What is the CAS Number of N-Desmethylclobazam Q: What is the storage condition of N-Desmethylclobazam Q: What are the applications of N-Desmethylclobazam

Chemical Properties

Melting point	>239°C (dec.)
Boiling point	601.8±55.0 °C(Predicted)
density	1.363±0.06 g/cm3(Predicted)
Fp	2℃
storage temp.	Controlled Substance, -20°C Freezer
solubility	Acetonitrile (Soluble)
form	A neat solid
pka	7.57±0.20(Predicted)
Major Application	clinical testing
InChI	1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
InChIKey	RRTVVRIFVKKTJK-UHFFFAOYSA-N
SMILES	O=C(C1)N(C2=CC=CC=C2)C3=C(C=CC(Cl)=C3)NC1=O

Safety Data

Hazard Codes	F,Xn
Risk Statements	11-20/21/22-36 less more
Safety Statements	16-36/37 less more
RIDADR	UN 1648 3 / PGII
WGK Germany	2
REACH Registrations	Active
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2
Toxicity	mouse,LD50,oral,> 2583mg/kg (2583mg/kg),United States Patent Document. Vol. #3760074, less more

Hazard Information

Description

N-Desmethylclobazam (CRM) (Item No. 18888) is a certified reference material that is structurally categorized as a benzodiazepine. It is a major active metabolite of clobazam, produced primarily by the action of cytochrome P450 isoform 3A4. N-Desmethylclobazam (CRM) positively modulates GABA_A receptors (EC₅₀s range from 98 to 151 μM, depending on subunit configuration). This product is intended for research and forensic applications.

Description

N-Desmethylclobazam (Item No. 18564) is an analytical reference material that is structurally categorized as a benzodiazepine. It is a major active metabolite of clobazam, produced primarily by the action of cytochrome P450 isoform 3A4. N-Desmethylclobazam positively modulates GABA_A receptors (EC₅₀s range from 98 to 151 μM, depending on subunit configuration). This product is intended for research and forensic applications.

Chemical Properties

Off-White Solid

Uses

The major metabolite of Clobazam Controlled substance (depressant).

Definition

ChEBI: N-Desmethylclobazam is a benzodiazepine.

General Description

A Certified Solution Standard for use in LC or GC applications from forensic and forensic toxicology analysis to urine drug testing. N-Desmethylclobazam, found in urine, serum, and plasma, is the pharmacologically active, major metabolite of clobazam.

References

[1] JOSE DE LEON Francisco J D Edoardo Spina. Clobazam therapeutic drug monitoring: a comprehensive review of the literature with proposals to improve future studies.[J]. Therapeutic Drug Monitoring, 2013, 35 1: 30-47. DOI: 10.1097/ftd.0b013e31827ada88
[2] HARRIET HAMMER. Functional characterization of the 1,5-benzodiazepine clobazam and its major active metabolite N-desmethylclobazam at human GABA(A) receptors expressed in Xenopus laevis oocytes.[J]. PLoS ONE, 2015: e0120239. DOI: 10.1371/journal.pone.0120239

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