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4'-Hydroxy-N-desmethylclobazam

CAT: 0572-TRC-C582505-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C582505-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70643-23-1
Synonyms
8-Chloro-1-(4-hydroxyphenyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione; 4'-Hydroxy-N-demethylclobazam; M 5; M 5 (clobazam metabolite);
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Oc1ccc(cc1)N2C(=O)CC(=O)Nc3ccc(Cl)cc23
Molecular Formula
C15 H11 Cl N2 O3
Molecular Weight
302.71
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4'-Hydroxy-N-desmethylclobazam
CAS Number70643-23-1
PubChem CID14275476
IUPAC Name7-chloro-5-(4-hydroxyphenyl)-1H-1,5-benzodiazepine-2,4-dione
Molecular FormulaC15H11ClN2O3
Molecular Weight302.71
XLogP2.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity423
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H11ClN2O3/c16-9-1-6-12-13(7-9)18(15(21)8-14(20)17-12)10-2-4-11(19)5-3-10/h1-7,19H,8H2,(H,17,20)
InChIKey
CVYAYORYXFSRGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxy-N-desmethylclobazam
CAS: 70643-23-1
CID: 14275476
Formula: C15H11ClN2O3
MW: 302.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.71
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass302.0458199
Monoisotopic Mass302.0458199
Topological Polar Surface Area69.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity423
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

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CatalogName
CS-TB-005654'-Hydroxy-N-desmethylclobazam
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