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N-Desmethyl Clobazam

CAT: 0572-TRC-D291540-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D291540-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22316-55-8
Synonyms
8-chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione; 7-Chloro-5-phenyl-1,2,4,5-tetrahydro-3H-1,5-benzodiazepine-2,4-dione; Clofazin; Demethylclobazam; Desmethylclobazam; N-Demethylclobazam; N-Desmethylclobazam; Norclobazam; Clobazam Imp. A (EP); Clobazam Impurity A
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Clc1ccc2NC(=O)CC(=O)N(c3ccccc3)c2c1
Molecular Formula
C15 H11 Cl N2 O2
Molecular Weight
286.71
InChI
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)
Additionnal Information
IUPAC name: 7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Desmethylclobazam

N-Desmethylclobazam is a benzodiazepine.

CAS Number22316-55-8
PubChem CID89657
IUPAC Name7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione
Molecular FormulaC15H11ClN2O2
Molecular Weight286.71
XLogP1.9
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity395
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
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
Chemical Structure
2D Structure
2D structure of Desmethylclobazam
CAS: 22316-55-8
CID: 89657
Formula: C15H11ClN2O2
MW: 286.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.71
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass286.0509053
Monoisotopic Mass286.0509053
Topological Polar Surface Area49.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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Alternative Products

CatalogName
CS-O-11315N-Desmethyl Clobazam
458790N-Desmethyl Clobazam-13C6
CS-TB-15437N-Desmethyl Dechloro Clobazam
CS-O-20006N-Desmethyl Clobazam-d5
AR-C08014-01N-Desmethyl O-Methyl Clobazam
458791N-Desmethyl Clobazam-13C6 (100 μg/mL in Acetonitrile) discontinued
CS-O-56076N, N-Di-Nitroso Clobazam impurity
AR-C08015-01N-Nitroso Clobazam Impurity 5
CS-O-56075N-Nitroso Clobazam impurity-1
CS-O-54231N-Nitroso Clobazam EP Impurity F

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