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Licofelone-d4

CAT: 0926-PXB42704-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-PXB42704-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189427-04-0
Smiles
CC1 (CC2=C (C (=C (N2C1) CC (=O) O) C3=CC=C (C=C3) Cl) C4=CC=CC=C4) C
Molecular Formula
C23H22ClNO2
Molecular Weight
383.9 g/mol
Controlled
No

Chemical Information

Licofelone-d4
CAS Number1189427-04-0
PubChem CID46782057
IUPAC Name2-[2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
Molecular FormulaC23H22ClNO2
Molecular Weight383.9
XLogP5.2
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity536
SMILES
[2H]C1=C(C(=C(C(=C1C2=C(N3CC(CC3=C2C4=CC=CC=C4)(C)C)CC(=O)O)[2H])[2H])Cl)[2H]
InChI
InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)/i8D,9D,10D,11D
InChIKey
UAWXGRJVZSAUSZ-OCFVFILASA-N
Chemical Structure
2D Structure
2D structure of Licofelone-d4
CAS: 1189427-04-0
CID: 46782057
Formula: C23H22ClNO2
MW: 383.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.9
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass383.1590136
Monoisotopic Mass383.1590136
Topological Polar Surface Area42.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity536
Isotope Atom Count4
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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