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Clodazon hydrochloride anhydrous

CAT: 0013-GTR19241785-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241785-01Size:10 mg
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Description
AW 142446 (Clodazon) is a small molecule antidepressant compound used in neuroscience research. It serves as a tool for investigating depression mechanisms in both in vitro and in vivo experimental models.
CAS Number
4913-61-5
Smiles
Cl.O=C1N (C=2C=CC=CC2) C3=CC (Cl) =CC=C3N1CCCN (C) C
Molecular Formula
C18H21Cl2N3O
Molecular Weight
366.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

clodazon hydrochloride anhydrous
CAS Number4913-61-5
PubChem CID56841979
IUPAC Name5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one;hydrochloride
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.3
Topological Polar Surface Area26.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity411
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3.Cl
InChI
InChI=1S/C18H20ClN3O.ClH/c1-20(2)11-6-12-21-16-10-9-14(19)13-17(16)22(18(21)23)15-7-4-3-5-8-15;/h3-5,7-10,13H,6,11-12H2,1-2H3;1H
InChIKey
NQRQQRMSSZZIFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of clodazon hydrochloride anhydrous
CAS: 4913-61-5
CID: 56841979
Formula: C18H21Cl2N3O
MW: 366.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass365.1061677
Monoisotopic Mass365.1061677
Topological Polar Surface Area26.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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