N-Desmethylclobazam

Base Information Edit

Chemical Name:N-Desmethylclobazam
CAS No.:22316-55-8
Molecular Formula:C15H11ClN2O2
Molecular Weight:286.718
Hs Code.:2933990090
European Community (EC) Number:244-909-2
UNII:MZ4L647O2H
DSSTox Substance ID:DTXSID40176859
Nikkaji Number:J265.062B
Wikidata:Q27284309
ChEMBL ID:CHEMBL2260842
Mol file:22316-55-8.mol

Synonyms:demethylclobazam;N-desmethylclobazam;norclobazam

Suppliers and Price of N-Desmethylclobazam

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
N-Desmethylclobazam solution 100?μg/mL in acetonitrile, ampule of 1?mL, certified reference material, Cerilliant?
1 mL
$ 173.00

Sigma-Aldrich
N-Desmethylclobazam solution 100μg/mL in acetonitrile, ampule of 1mL, certified reference material
049-1ml
$ 168.00

Sigma-Aldrich
N-Desmethylclobazam solution
145-1ml
$ 327.00

Crysdot
8-Chloro-1-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione 97%
50mg
$ 500.00

Crysdot
8-Chloro-1-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione 97%
10mg
$ 140.00

Crysdot
8-Chloro-1-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione 97%
5mg
$ 90.00

Crysdot
8-Chloro-1-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione 97%
25mg
$ 300.00

Cayman Chemical
N-Desmethylclobazam ≥98%
5mg
$ 292.00

Cayman Chemical
N-Desmethylclobazam (CRM)
500μg
$ 265.00

Cayman Chemical
N-Desmethylclobazam ≥98%
1mg
$ 65.00

Total 13 raw suppliers

Chemical Property of N-Desmethylclobazam Edit

Chemical Property:

Vapor Pressure:1.95E-14mmHg at 25°C
Melting Point:>239°C (dec.)
Refractive Index:1.631
Boiling Point:601.8 °C at 760 mmHg
PKA:7.57±0.20(Predicted)
Flash Point:317.7 °C
PSA：52.90000
Density:1.363 g/cm³
LogP:3.49700
Storage Temp.:Controlled Substance, -20?C Freezer
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:286.0509053
Heavy Atom Count:20
Complexity:395

Purity/Quality:

99.9% ^*data from raw suppliers

N-Desmethylclobazam solution 100?μg/mL in acetonitrile, ampule of 1?mL, certified reference material, Cerilliant? ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,Xn
Hazard Codes:F,Xn
Statements: 11-20/21/22-36
Safety Statements: 16-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=O)NC2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
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 GABAA receptors (EC50s range from 98 to 151 μM, depending on subunit configuration). This product is intended for research and forensic applications. 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 GABAA receptors (EC50s range from 98 to 151 μM, depending on subunit configuration). This product is intended for research and forensic applications.
Uses The major metabolite of Clobazam Controlled substance (depressant).

Technology Process of N-Desmethylclobazam

There total 17 articles about N-Desmethylclobazam which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.5%

: 68406-47-3
4-chloro-N₂-phenylbenzene-1,2-diamine

: 105-53-3
diethyl malonate

: 22316-55-8
N-desmethylclobazam

Guidance literature:: With aluminum (III) chloride; triethylamine; In tetrahydrofuran; at 15 - 20 ℃; for 4h; Reagent/catalyst; Concentration; Autoclave;