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Clofezone

CAT: 0931-T27045-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27045-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17449-96-6
Target
Others
Related Pathways
Others
Bioactivity
Clofezone, an analgesic and antipyretic, has anti-inflammatory properties used in the treatment of rheumatism.
Smiles
O=C(NCCN(CC)CC)COC1=CC=C(Cl)C=C1.O=C1N(C=2C=CC=CC2)N(C=3C=CC=CC3)C(=O)C1CCCC
Molecular Formula
C33H41ClN4O4
Molecular Weight
593.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Clofezone

was MH 1975-92 (see under PHENYLBUTAZONE 1975-90); use PHENYLBUTAZONE to search CLOFEZONE 1975-92; an analgesic & antipyretic with anti-inflammatory properties used in treatment of rheumatism

CAS Number17449-96-6
PubChem CID6433695
IUPAC Name4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
Molecular FormulaC33H41ClN4O4
Molecular Weight593.2
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count42
Formal Charge0
Complexity641
SMILES
CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CCN(CC)CCNC(=O)COC1=CC=C(C=C1)Cl
InChI
InChI=1S/C19H20N2O2.C14H21ClN2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h4-13,17H,2-3,14H2,1H3;5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKey
ICBCZMIEENEERJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clofezone
CAS: 17449-96-6
CID: 6433695
Formula: C33H41ClN4O4
MW: 593.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass592.2816335
Monoisotopic Mass592.2816335
Topological Polar Surface Area82.2 Ų
Heavy Atom Count42
Formal Charge0
Complexity641
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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