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L791943

CAT: 0013-GTR19205569-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205569-02Size:50 mg
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Description
L791943
CAS Number
192767-01-4
Field of Research
Metabolism Research
Smiles
C (CC=1C=CN (=O) =CC1) (C2=CC (OC (F) F) =C (OC (F) F) C=C2) C3=CC=C (C (C (F) (F) F) (C (F) (F) F) O) C=C3
Molecular Formula
C24H17F10NO4
Molecular Weight
573.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

L-791943

an phosphodiesterase iv inhibitor; structure in first source

CAS Number192767-01-4
PubChem CID9808191
IUPAC Name2-[4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Molecular FormulaC24H17F10NO4
Molecular Weight573.4
XLogP6.6
Topological Polar Surface Area64.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity738
SMILES
C1=CC(=CC=C1C(CC2=CC=[N+](C=C2)[O-])C3=CC(=C(C=C3)OC(F)F)OC(F)F)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C24H17F10NO4/c25-20(26)38-18-6-3-15(12-19(18)39-21(27)28)17(11-13-7-9-35(37)10-8-13)14-1-4-16(5-2-14)22(36,23(29,30)31)24(32,33)34/h1-10,12,17,20-21,36H,11H2
InChIKey
VIOWRSXFEPSZFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L-791943
CAS: 192767-01-4
CID: 9808191
Formula: C24H17F10NO4
MW: 573.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.4
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass573.09978964
Monoisotopic Mass573.09978964
Topological Polar Surface Area64.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity738
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

Alternative Products

CatalogName
HY-U00254L791943

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