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3-Methyl Clobazam

CAT: 0572-TRC-M294965-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M294965-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22316-16-1
Synonyms
7-Chloro-1,3-dimethyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione; (3RS)-7-Chloro-1,3-dimethyl-5-phenyl-1,5-dihydro-3H-1,5-benzodiazepine-2,4-dione; Clobazam Imp. C (EP)
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC1C(=O)N(C)c2ccc(Cl)cc2N(C1=O)c3ccccc3
Molecular Formula
C17 H15 Cl N2 O2
Molecular Weight
314.77
InChI
InChI=1S/C17H15ClN2O2/c1-11-16(21)19(2)14-9-8-12(18)10-15(14)20(17(11)22)13-6-4-3-5-7-13/h3-11H,1-2H3
Additionnal Information
IUPAC name: 7-chloro-1,3-dimethyl-5-phenyl-1,5-benzodiazepine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Methyl Clobazam
CAS Number22316-16-1
PubChem CID101673525
IUPAC Name7-chloro-1,3-dimethyl-5-phenyl-1,5-benzodiazepine-2,4-dione
Molecular FormulaC17H15ClN2O2
Molecular Weight314.8
XLogP2.7
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity450
SMILES
CC1C(=O)N(C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3)C
InChI
InChI=1S/C17H15ClN2O2/c1-11-16(21)19(2)14-9-8-12(18)10-15(14)20(17(11)22)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKey
WAXKWQZPMOCDCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl Clobazam
CAS: 22316-16-1
CID: 101673525
Formula: C17H15ClN2O2
MW: 314.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.8
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass314.0822054
Monoisotopic Mass314.0822054
Topological Polar Surface Area40.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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